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Sample records for cl br h2dhp

  1. Molecular dynamics simulations of Si etching in Cl- and Br-based plasmas: Cl+ and Br+ ion incidence in the presence of Cl and Br neutrals

    International Nuclear Information System (INIS)

    Classical molecular dynamics (MD) simulations have been performed for Cl+ and Br+ ions incident on Si(100) surfaces with Cl and Br neutrals, respectively, to gain a better understanding of the ion-enhanced surface reaction kinetics during Si etching in Cl- and Br-based plasmas. The ions were incident normally on surfaces with translational energies in the range Ei = 20–500 eV, and low-energy neutrals of En = 0.01 eV were also incident normally thereon with the neutral-to-ion flux ratio in the range Γn0/Γi0 = 0–100, where an improved Stillinger--Weber potential form was employed for the interatomic potential concerned. The etch yields and thresholds presently simulated were in agreement with the experimental results previously reported for Si etching in Cl2 and Br2 plasmas as well as in Cl+, Cl2+, and Br+ beams, and the product stoichiometry simulated was consistent with that observed during Ar+ beam incidence on Si in Cl2. Moreover, the surface coverage of halogen atoms, halogenated layer thickness, surface stoichiometry, and depth profile of surface products simulated for Γn0/Γi0 = 100 were in excellent agreement with the observations depending on Ei reported for Si etching in Cl2 plasmas. The MD also indicated that the yield, coverage, and surface layer thickness are smaller in Si/Br than in Si/Cl system, while the percentage of higher halogenated species in product and surface stoichiometries is larger in Si/Br. The MD further indicated that in both systems, the translational energy distributions of products and halogen adsorbates desorbed from surfaces are approximated by two Maxwellians of temperature T1 ≈ 2500 K and T2 ≈ 7000–40 000 K. These energy distributions are discussed in terms of the desorption or evaporation from hot spots formed through chemically enhanced physical sputtering and physically enhanced chemical sputtering, which have so far been speculated to both occur in the ion-enhanced surface reaction

  2. Systematic hardness measurements on CsClBr(1–x) and NH4ClBr(1–x) mixed crystals

    Indian Academy of Sciences (India)

    K G Subhadra; E Balaiah; D B Sirdeshmukh

    2002-02-01

    Vickers hardness measurements have been made on polycrystalline blanks of CsClBr(1–x) and single crystals of NH4ClBr(1–x). The composition dependence of hardness is highly nonlinear in both systems and follows an empirical model that includes a lattice contribution and a disorder contribution. The Gilman–Chin parameter (/44) has been calculated and its significance discussed.

  3. Molecular dynamics simulations of Si etching in Cl- and Br-based plasmas: Cl{sup +} and Br{sup +} ion incidence in the presence of Cl and Br neutrals

    Energy Technology Data Exchange (ETDEWEB)

    Nakazaki, Nobuya, E-mail: nakazaki.nobuya.58x@st.kyoto-u.ac.jp; Takao, Yoshinori; Eriguchi, Koji; Ono, Kouichi, E-mail: ono@kuaero.kyoto-u.ac.jp [Department of Aeronautics and Astronautics, Graduate School of Engineering, Kyoto University, Kyoto-daigaku Katsura, Nishikyo-ku, Kyoto 615-8540 (Japan)

    2015-12-21

    Classical molecular dynamics (MD) simulations have been performed for Cl{sup +} and Br{sup +} ions incident on Si(100) surfaces with Cl and Br neutrals, respectively, to gain a better understanding of the ion-enhanced surface reaction kinetics during Si etching in Cl- and Br-based plasmas. The ions were incident normally on surfaces with translational energies in the range E{sub i} = 20–500 eV, and low-energy neutrals of E{sub n} = 0.01 eV were also incident normally thereon with the neutral-to-ion flux ratio in the range Γ{sub n}{sup 0}/Γ{sub i}{sup 0} = 0–100, where an improved Stillinger--Weber potential form was employed for the interatomic potential concerned. The etch yields and thresholds presently simulated were in agreement with the experimental results previously reported for Si etching in Cl{sub 2} and Br{sub 2} plasmas as well as in Cl{sup +}, Cl{sub 2}{sup +}, and Br{sup +} beams, and the product stoichiometry simulated was consistent with that observed during Ar{sup +} beam incidence on Si in Cl{sub 2}. Moreover, the surface coverage of halogen atoms, halogenated layer thickness, surface stoichiometry, and depth profile of surface products simulated for Γ{sub n}{sup 0}/Γ{sub i}{sup 0} = 100 were in excellent agreement with the observations depending on E{sub i} reported for Si etching in Cl{sub 2} plasmas. The MD also indicated that the yield, coverage, and surface layer thickness are smaller in Si/Br than in Si/Cl system, while the percentage of higher halogenated species in product and surface stoichiometries is larger in Si/Br. The MD further indicated that in both systems, the translational energy distributions of products and halogen adsorbates desorbed from surfaces are approximated by two Maxwellians of temperature T{sub 1} ≈ 2500 K and T{sub 2} ≈ 7000–40 000 K. These energy distributions are discussed in terms of the desorption or evaporation from hot spots formed through chemically enhanced physical

  4. /sup 35/Cl and /sup 81/Br nuclear magnetic resonance studies of carbonic anhydrase

    Energy Technology Data Exchange (ETDEWEB)

    Ward, R.L.

    1979-02-01

    /sup 35/Cl NMR studies substantiated the binding of Cl/sup -/ to the Zn(II) of carbonic anhydrase. Zinc-free carbonic anhydrase was prepared and it exhibited essentially no effect on the Cl/sup -/ line width. The net Cl/sup -/ line width increased with temperature. /sup 81/Br NMR was quite similar to /sup 35/Cl in that its relaxation is dominated by quadrupolar interactions.

  5. A New Promising X-Ray Storage Phosphor BaBrCl:Eu2+

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Photostimulated luminescence was observed in X-ray irradiated BaBrCl doped with Eu2+. It shows an emission band that peak at 413 nm, and two difference absorption spectra (DAS) bands that peak at ~550 nm and 675 nm respectively. The stimulation energy is lower than that of BaFX:Eu2+ (X=Cl, Br), and matches the cheaper, more portable, and more convenient semiconductor laser better. The results indicate that BaBrCl:Eu2+ shows positive potential as a promising X-ray storage phosphor for practical utilization.

  6. On the Attosecond charge migration in Cl.....N, Cl.....O, Br.....N and Br.....O Halogen-bonded clusters: Effect of donor, acceptor, vibration, rotation, and electron correlation

    Indian Academy of Sciences (India)

    SANKHABRATA CHANDRA; MOHAMMED MUSTHAFA IQBAL; ATANU BHATTACHARYA

    2016-08-01

    The electron-electron relaxation and correlation-driven charge migration process, which features pure electronic aspect of ultrafast charge migration phenomenon, occurs on a very short timescale in ionized molecules and molecular clusters, prior to the onset of nuclear motion. In this article, we have presented natureof ultrafast pure electronic charge migration dynamics through Cl.....N, Cl.....O, Br.....N, and Br.....O halogen bonds, explored using density functional theory. We have explored the role of donor, acceptor, electron correlation, vibration and rotation in charge migration dynamics through these halogen bonds. For this work, we have selected ClF, Cl₂, ClOH, ClCN, BrF, BrCl, BrOH, and BrCN molecules paired with either NH₃ or H₂O. We have found that the timescale for pure electron-electron relaxation and correlation-driven charge migration through the Cl.....N, Br.....N, Cl.....O, and Br.....O halogen bonds falls in the range of 300–600 attosecond. The primary driving force behind the attosecond charge migration through the Cl.....N, Br.....N, Cl.....O, and Br.....O halogen bonds is the energy difference (∆E) between two stationary cationic orbitals (LUMO-β and HOMO-β), which together represents the initial hole density immediately following vertical ionization. We have also predicted that the strength of electron correlation has significant effect on the charge migration timescale in Cl.....N, Br.....N, Cl.....O, and Br.....O halogen bonded clusters. Vibration and rotation are also found to exhibit profound effect on attosecond charge migration dynamics through halogen bonds.

  7. Corrosion of type 316 stainless steel in molten LiF-LiCl-LiBr

    International Nuclear Information System (INIS)

    The properties of LiF-LiCl-LiBr salt make it attractive as a solvent for extracting tritium from a fusion reactor lithium blanket. Consequently, the corrosion of type 316 stainless steel by flowing (about 15 mm/s) LiF-LiCl-LiBr at a maximum temperature of 5350C was studied to determine whether compatibility with the structural material would be limiting in such a system. The corrosion rate was found to be low (0C (approximately that of type 316 stainless steel exposed to lithium flowing at a similar velocity). At the proposed operating temperature (less than or equal to approx. 5350C), however, it appears that type 316 stainless steel has acceptable compatibility with the tritium-processing salt LiF-LiCl-LiBr for use with a lithium blanket

  8. Synthesis and Crystal Structure of [Ca(DMF)6][Mo6Br8Cl6

    Institute of Scientific and Technical Information of China (English)

    LIU Xi; CAI Li-Zhen; GUO Guo-Cong; LI Qiang; HUANG Jin-Shun

    2006-01-01

    The reaction of MoBr2 with CaCl2 in DMF (N, N'-dimethylformamide) gives the cluster complex [Ca(DMF)6][Mo6Br8Cl6] 1 by using standard Schlenk techniques. This cluster complex crystallizes in triclinic, space group (P1) with a = 10.329(4), b = 10.349(4), c = 12.510(5) (A), α = 103.793(5), β = 98.562(3), γ = 98.268(5)°, V = 1261.5(9)(A)3, Dc = 2.509 g/cm3, Z = 1, C18H42Br8CaCl6Mo6N6O6, Mr = 1906.28, μ = 8.236 mm-1, λ(MoKα) = 0.71073(A)and F(000) = 894. The final R = 0.0589 and wR = 0.1458 for 2759 observed reflections with I > 2σ(I). The structure is composed of isolated octahedral coordination cations and discrete cluster anions, and these two kinds of ions connect each other to form a 3-D framework with similar packing patterns as CsCl through weak C-H…X (X = Br, Cl) hydrogen bonds.

  9. Reactivity of BrCl, Br₂, BrOCl, Br₂O, and HOBr toward dimethenamid in solutions of bromide + aqueous free chlorine.

    Science.gov (United States)

    Sivey, John D; Arey, J Samuel; Tentscher, Peter R; Roberts, A Lynn

    2013-02-01

    HOBr, formed via oxidation of bromide by free available chlorine (FAC), is frequently assumed to be the sole species responsible for generating brominated disinfection byproducts (DBPs). Our studies reveal that BrCl, Br(2), BrOCl, and Br(2)O can also serve as brominating agents of the herbicide dimethenamid in solutions of bromide to which FAC was added. Conditions affecting bromine speciation (pH, total free bromine concentration ([HOBr](T)), [Cl(-)], and [FAC](o)) were systematically varied, and rates of dimethenamid bromination were measured. Reaction orders in [HOBr](T) ranged from 1.09 (±0.17) to 1.67 (±0.16), reaching a maximum near the pK(a) of HOBr. This complex dependence on [HOBr](T) implicates Br(2)O as an active brominating agent. That bromination rates increased with increasing [Cl(-)], [FAC](o) (at constant [HOBr](T)), and excess bromide (where [Br(-)](o)>[FAC](o)) implicate BrCl, BrOCl, and Br(2), respectively, as brominating agents. As equilibrium constants for the formation of Br(2)O and BrOCl (aq) have not been previously reported, we have calculated these values (and their gas-phase analogues) using benchmark-quality quantum chemical methods [CCSD(T) up to CCSDTQ calculations plus solvation effects]. The results allow us to compute bromine speciation and hence second-order rate constants. Intrinsic brominating reactivity increased in the order: HOBr ≪ Br(2)O water and wastewater chlorination.

  10. Environmentally friendly microwave ionic liquids synthesis of hybrids from cellulose and AgX (X=Cl, Br).

    Science.gov (United States)

    Dong, Yan-Yan; He, Jing; Sun, Shao-Long; Ma, Ming-Guo; Fu, Lian-Hua; Sun, Run-Cang

    2013-10-15

    The purpose of this article was to explore an environmentally friendly strategy to synthesis of biomass-based hybrids. Herein, microwave-assisted ionic liquids method was applied to fabricate the hybrids from cellulose and AgX (X=Cl, Br) using cellulose and AgNO3. The ionic liquids act simultaneously as a solvent, a microwave absorber, and a reactant. Ionic liquids provided Cl(-) or Br(-) to the synthesis of AgCl or AgBr crystals; thus no additional reactant is needed. The products are characterized by X-ray powder diffraction (XRD), Fourier transform infrared spectrometry (FTIR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and differential thermal analysis (DTA). The cellulose-Ag/AgCl hybrid and cellulose-Ag/AgBr hybrid were also obtained by using cellulose-AgCl and cellulose-AgBr hybrids as precursors. This environmentally friendly microwave-assisted ionic liquids method is beneficial to the hybrids with high dispersion.

  11. Photocatalytic properties of BiOX (X=Cl, Br, and I)

    Institute of Scientific and Technical Information of China (English)

    AN Huizhong; DU Yi; WANG Tianmin; WANG Cong; HAO Weichang; ZHANG Junying

    2008-01-01

    A novel series of photocatalysts, bismuth oxyhalide (BiOX, X=Cl, Br, and I), were synthesized by a hydrolysis method. The powder samples were characterized by the use of X-ray diffraction (XRD), scanning electron microscope, and UV-Vis spectrophotometer. The XRD pattern showed that all the BiOX were well crystallized in the tetragonal structure. The band gaps of the sheet-shaped compounds BiOX (X=Cl, Br, and I) were 3.44, 2.76, and 1.85 eV, respectively. BiOBr showed the highest photocatalytic activity in degrading rhodamine B (RhB) and evolving O2 for its proper valence band (VB). BiOI has no photocatalytic activity. BiOCl showed the highest activity in decomposing isopropanol because of electron-hole pair separation through trapping electrons by oxygen vacancies.

  12. Engineering BiOX (X = Cl, Br, I) nanostructures for highly efficient photocatalytic applications

    Science.gov (United States)

    Cheng, Hefeng; Huang, Baibiao; Dai, Ying

    2014-01-01

    Heterogeneous photocatalysis that employs photo-excited semiconductor materials to reduce water and oxidize toxic pollutants upon solar light irradiation holds great prospects for renewable energy substitutes and environmental protection. To utilize solar light effectively, the quest for highly active photocatalysts working under visible light has always been the research focus. Layered BiOX (X = Cl, Br, I) are a kind of newly exploited efficient photocatalysts, and their light response can be tuned from UV to visible light range. The properties of semiconductors are dependent on their morphologies and compositions as well as structures, and this also offers the guidelines for design of highly-efficient photocatalysts. In this review, recent advances and emerging strategies in tailoring BiOX (X = Cl, Br, I) nanostructures to boost their photocatalytic properties are surveyed.

  13. Proton induced activation of LaBr3:Ce and LaCl3:Ce

    International Nuclear Information System (INIS)

    In the framework of an assessment of lanthanum halide scintillators, such as LaBr3:Ce and LaCl3:Ce on their suitability for space based gamma-ray spectroscopy, proton induced activation of the materials has been studied. One inch scintillators were subjected to proton irradiations in the range of 60-184 MeV, where after the activation was measured. The activation was analyzed by identifying the decaying isotopes by means of gamma-ray spectroscopy and lifetime measurements using both a germanium detector and the activated scintillator itself. It was found that the dominant source of activation in the scintillators originates from the lighter elements in the materials: bromide and chloride, respectively. The activation of LaBr3:Ce manifest itself through gamma-decay, which partly leaves the volume. Activation of LaCl3:Ce originates mainly from beta decay, which is confined to the volume itself

  14. Laser cooling of MgCl and MgBr in theoretical approach

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Mingjie; Shao, Juxiang; Huang, Duohui; Yang, Junsheng; Cao, Qilong; Jin, Chengguo; Wang, Fanhou, E-mail: fanhouwangyibin@163.com [Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin 644007 (China); Gao, Yufeng [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China)

    2015-07-14

    Ab initio calculations for three low-lying electronic states (X{sup 2}Σ{sup +}, A{sup 2}Π, and 2{sup 2}Π) of MgCl and MgBr molecules, including spin-orbit coupling, are performed using multi-reference configuration interaction plus Davidson correction method. The calculations involve all-electronic basis sets and Douglas–Kroll scalar relativistic correction. Spectroscopic parameters well agree with available theoretical and experimental data. Highly diagonally distributed Franck-Condon factors f{sub 00} for A{sup 2}Π{sub 3/2,1/2} (υ′ = 0) → X{sup 2}Σ{sup +}{sub 1/2} (υ″ = 0) are determined for both MgCl and MgBr molecules. Suitable radiative lifetimes τ of A{sup 2}Π{sub 3/2,1/2} (υ′ = 0) states for rapid laser cooling are also obtained. The proposed laser drives A{sup 2}Π{sub 3/2} (υ′ = 0) → X{sup 2}Σ{sup +}{sub 1/2} (υ″ = 0) transition by using three wavelengths (main pump laser λ{sub 00}; two repumping lasers λ{sub 10} and λ{sub 21}). These results indicate the probability of laser cooling MgCl and MgBr molecules.

  15. Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br· · · Br and type II Br· · · Cl interactions

    Indian Academy of Sciences (India)

    MYSORE S PAVAN; TAYUR N GURU ROW

    2016-10-01

    The crystal structure of 4−bromo−2−chlorobenzoic acid generates an unusual triangular motif consisting of a hitherto uncharacterized Type I Br· · · Br contact along with two Type II Br· · · Cl interactions as edges of the triangle. The nature of such bonding is analyzed based on both experimental and theoretical chargedensity followed by topological analysis.

  16. X-ray excited optical luminescence studies on the system Ba (, =F, Cl, Br, I)

    Indian Academy of Sciences (India)

    K Govinda Rajan; A Jestin Lenus

    2005-08-01

    The present paper reports the experimental observations on the x-ray excited optical luminescence (XEOL) along with the afterglow and colour center features found for the barium salts, represented by the formula, Ba, where and are the halides. The system thus consists of four dihalides (BaF2, . . . ,BaI2) and six mixed halides (BaFCl,. . . ,BaBrI). To start with, it was found that on two of the binary halides of barium, BaClI and BaBrI, no literature exists, and so these were prepared for the first time and their crystal structures were determined. An x-ray generator of 3-kW rating was next coupled to a spectrometer via a high throughput fiberoptic sensor for recording the luminescence spectra under x-irradiation. Also presented in this paper are the observations on the Ba compounds in which about 0.1 mole% of Eu2+ was doped, in order to study the efficiency between the prompt luminescence and the photostimulated luminescence in these compounds. The crystal structure varies from fluorite (BaF2), to matlockite (BaF) and finally to orthorhombic (BaCl2, . . .,BaBrI) for these compounds. Hence searching for systematics and empirical relations in the observed XEOL behaviour of these compounds is still a challenging problem.

  17. Specific oxidation pattern of soluble starch with TEMPO-NaBr-NaClO system.

    Science.gov (United States)

    Hao, Jie; Lu, Jiaojiao; Xu, Naiyu; Linhardt, Robert J; Zhang, Zhenqing

    2016-08-01

    Oxidized starch, one of the most important starch derivatives, has many different properties and applications. Currently, there are two ways to produce oxidized starch, through specific and nonspecific oxidation. Specific oxidation using the stable nitroxyl radical, 2,2,6,6-tetramethyl preparidinloxy (TEMPO), with NaBr and NaClO can produce oxidized starches with different properties under good quality control. In the current study, we examine the products of specifically oxidized starch. As the amount of oxidant and the temperature, two critical factors impacting the oxidation of starch were thoroughly investigated. Analysis of the molecular weight (MW), degree of oxidization (DO) and the detailed structures of corresponding products was accomplished using gel permeation chromatography with multi-angle laser light scattering (GPC-MALLS), infrared (IR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and quadrapole time-of-flight mass spectrometry (Q/TOF-MS). According to the analytical results, the oxidation patterns of starch treated with specific oxidant TEMPO-NaBr-NaClO were established. When high amounts of oxidant was applied, more glucose residues within starch were oxidized to glucuronic acids (higher DO) and substantial degradation to starch oligosaccharides was observed. By selecting a reaction temperature of 25°C a high DO could be obtained for a given amount of oxidant. The reducing end sugar residue within oxidized starch was itself oxidized and ring opened in all TEMPO-NaBr-NaClO reactions. Furthermore, extra oxidant generated additional novel structures in the reducing end residues of some products, particularly in low temperature reactions. PMID:27112871

  18. Theoretical analysis of static properties of mixed ionic crystal: NH4Cl1−Br

    Indian Academy of Sciences (India)

    D Rawat; N K Gaur; Sadhna Singh; A Gour

    2009-12-01

    In the present paper, we have investigated the static properties of the mixed ionic crystal NH4Cl1−Br using three-body potential model (TBPM) by the application of Vegard’s law. The results for the mixed crystal counterparts are also in fair agreement with the pseudo-experimental data generated from the application of Vegard’s law. The results for the end point members ( = 0 and 1) are in good agreement with the experimental data. The results on compressibility, molecular force constant, infrared absorption frequencies and Debye temperature are presented probably for the first time for these mixed crystal counterparts.

  19. Mutual neutralization of He+ with the anions Cl-, Br-, I-, and SF6-

    Science.gov (United States)

    Wiens, Justin P.; Shuman, Nicholas S.; Miller, Thomas M.; Viggiano, Albert A.

    2016-05-01

    Mutual neutralization (MN) rate coefficients kMN for He+ with the anions Cl-, Br-, I-, and SF6- are reported from 300 to 500 K. The measured rate coefficients may contain a contribution from transfer ionization, i.e., double ionization of the anion. The large rate coefficient for He+ + SF6- (2.4 × 10-7 cm3 s-1 at 300 K) is consistent with earlier polyatomic MN results found to have a reduced mass dependence of μ-1/2. Neutralization of He+ by the atomic halides follows the trend observed earlier for Ne+, Ar+, Kr+, and Xe+ neutralized by atomic halides, kMN (Cl-) SF6- is small or negligible.

  20. Mutual neutralization of He(+) with the anions Cl(-), Br(-), I(-), and SF6 (.).

    Science.gov (United States)

    Wiens, Justin P; Shuman, Nicholas S; Miller, Thomas M; Viggiano, Albert A

    2016-05-28

    Mutual neutralization (MN) rate coefficients kMN for He(+) with the anions Cl(-), Br(-), I(-), and SF6 (-) are reported from 300 to 500 K. The measured rate coefficients may contain a contribution from transfer ionization, i.e., double ionization of the anion. The large rate coefficient for He(+) + SF6 (-) (2.4 × 10(-7) cm(3) s(-1) at 300 K) is consistent with earlier polyatomic MN results found to have a reduced mass dependence of μ(-1/2). Neutralization of He(+) by the atomic halides follows the trend observed earlier for Ne(+), Ar(+), Kr(+), and Xe(+) neutralized by atomic halides, kMN (Cl(-)) SF6 (-) is small or negligible. PMID:27250308

  1. Electronic structures and geometries of the XF{sub 3} (X = Cl, Br, I, At) fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Sergentu, Dumitru-Claudiu [SUBATECH, UMR CNRS 6457, IN2P3/EMN Nantes/Université de Nantes, 4 Rue A. Kastler, BP 20722, 44307 Nantes Cedex 3 (France); CEISAM, UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3 (France); Amaouch, Mohamed; Pilmé, Julien [Sorbonne Universités, UPMC Univ Paris 06, UMR 7616, Laboratoire de Chimie Théorique, Case Courier 137, 4 Place Jussieu, 75252 Paris Cedex 05 (France); CNRS, UMR 7616, Laboratoire de Chimie Théorique, Case Courier 137, 4 Place Jussieu, 75252 Paris Cedex 05 (France); Galland, Nicolas, E-mail: nicolas.galland@univ-nantes.fr [CEISAM, UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3 (France); Maurice, Rémi, E-mail: remi.maurice@subatech.in2p3.fr [SUBATECH, UMR CNRS 6457, IN2P3/EMN Nantes/Université de Nantes, 4 Rue A. Kastler, BP 20722, 44307 Nantes Cedex 3 (France)

    2015-09-21

    The potential energy surfaces of the group 17 XF{sub 3} (X = Cl, Br, I, At) fluorides have been investigated for the first time with multiconfigurational wave function theory approaches. In agreement with experiment, bent T-shaped C{sub 2v} structures are computed for ClF{sub 3}, BrF{sub 3}, and IF{sub 3}, while we predict that an average D{sub 3h} structure would be experimentally observed for AtF{sub 3}. Electron correlation and scalar relativistic effects strongly reduce the energy difference between the D{sub 3h} geometry and the C{sub 2v} one, along the XF{sub 3} series, and in the X = At case, spin-orbit coupling also slightly reduces this energy difference. AtF{sub 3} is a borderline system where the D{sub 3h} structure becomes a minimum, i.e., the pseudo-Jahn-Teller effect is inhibited since electron correlation and scalar-relativistic effects create small energy barriers leading to the global C{sub 2v} minima, although both types of effects interfere.

  2. Geochemistry of the Halogens (I, Br, Cl) and Evolution of the Seawater During the Archean

    Science.gov (United States)

    Avice, G.; Marty, B.; Burgess, R.; Goldsmith, S. L.

    2015-12-01

    Halogens (I, Cl, Br) on Earth are depleted relative to the results of the condensation sequence of elements from the solar nebula [1]. The cause of this depletion remains unknown but might be related to loss from impacts or to the presence of an hidden reservoir (e.g. core). The presence of fluid inclusions in hydrothermal quartz of various ages is an opportunity to follow the evolution of the composition of the atmosphere (N, noble gases) through time [2] but also of halogens in seawater (their main reservoir). Such studies may help to constrain what is the origin of these volatile elements on Earth. For this purpose, we analysed quartz from hydrothermal veins and pods of various localities and ages (e.g. Barberton Greenstone Belt (South Africa; 3.2 Ga), Fortescue Group (Australia; 2.7 Ga)) by crushing and step-heating following the extended Ar-Ar method [3]. In Barberton and Fortescue Gp. quartz, a hydrothermal component characterized by excess 40Ar (40ArE) and closely associated with chlorine is clearly identified from crushing and step-heating results and permits to define a 40ArE/Cl used to correct Ar-Ar data for this contribution. In the case of Barberton, the correction for the hydrothermal component leads to an approximate formation age of the quartz of 3.2 (+/- 0.1) Ga. In Barberton quartz, halogens elemental ratios obtained during crushing and step-heating experiments are highly enriched in iodine and bromine (I/Cl=2-7x10-4; Br/Cl=4-10x10-3) relative to modern seawater. These results are similar to those found in a previous study of Barberton fluid inclusions [3] and can be interpreted as indicators that organic carbon was not sufficiently abundant at this time and/or this location to efficiently pump Br and I during sediment burial. Iodine and bromine, in Fortescue Gp. quartz, are less enriched suggesting that, in that case, organic activity already acted as pump for these elements. [1] Sharp & Draper (2013) EPSL, 369-370, p. 71-77 [2] Pujol et al. (2011

  3. Microhardness studies on as-grown faces of NaClO3 and NaBrO3 crystals

    Indian Academy of Sciences (India)

    K Kishan Rao; V Surender; B Saritha Rani

    2002-12-01

    Single crystals of NaClO3 and NaBrO3 are grown from their aqueous solutions at a constant temperature of 35°C by slow evaporation by using good quality seed crystals. Systematic microhardness studies are made on as-grown faces of these crystals at various loads. Typical cracks are observed at the corners of the impressions in NaClO3 whereas in addition to the cracks at the corners microcracks also appeared in NaBrO3 crystals around the impressions. The impressions formed in NaBrO3 are not very clear as in NaClO3, a possible mechanism for it is discussed. The work hardening index number () for both these crystals is around 1.6 suggesting that these are moderately harder samples. The hardness studies point out that NaBrO3 is harder than NaClO3 ( ≈ 100 kg/mm2), this could be due to strong inter ionic forces acting between Na–Br in NaBrO3 crystals. Using Gilman’s empirical relation, hardness values are calculated from the values of elastic constants (44) and are found to be close to the experimental results.

  4. Theoretical investigation of potential energy surface and bound states for the van der Waals complex Ar–BrCl dimer

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Rui [School of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou (China); Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China); Li, Song, E-mail: lsong@yangtzeu.edu.cn [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Chen, Shan-Jun; Chen, Yan [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Zheng, Li-Min [Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China)

    2015-09-08

    Highlights: • A two-dimensional potential for Ar–BrCl is constructed at the CCSD(T) level. • The PES is characterized by three minima and two saddle points between them. • Bound state calculations were carried out for the complex. - Abstract: The intermolecular potential energy surface (PES) of the ground electronic state for the Ar–BrCl dimer is constructed at the CCSD(T) level with the aug-cc-pVQZ basis set and mid-bond functions. The PES is characterized by three minima and two saddle points. The global minimum corresponding to a collinear Ar–BrCl configuration, which has been observed experimentally, is located at R = 4.10 Å and θ = 2.5° with a well depth of −285.207 cm{sup −1}. A nearly T-shaped structure and an anti-linear Ar–ClBr geometry is also predicted. The bound state calculations are preformed to study intermolecular vibrational modes, rotational levels and average structures for the complex. Our transition frequencies, spectroscopic constants and average structures for all isotopomers of the collinear isomer agree well with experimental data. We have also provided pure rotational transitional frequencies for both nearly T-shaped and anti-linear isomers. These results are significant for further experimental investigations of the Ar–BrCl dimer.

  5. Photocatalytic transformations of CCl{sub 3}Br, CBr{sub 3}F, CHCl{sub 2}Br and CH{sub 2}BrCl in aerobic and anaerobic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Calza, P.; Minero, C.; Pelizzetti, E. [Dipartimento di Chimica Analitica, Universita di Torino, 10125 Torino (Italy); Hiskia, A.; Papaconstantinou, E. [Institute of Physical Chemistry, NCSR Demokritos, 15310 Athens (Greece)

    2001-01-01

    Phototransformations of halomethanes containing chlorine and bromine (CCl{sub 3}Br, CHCl{sub 2}Br, CH{sub 2}ClBr) or bromine and fluorine (CBr{sub 3}F) have been investigated under aerobic and anaerobic conditions both in homogeneous system and heterogeneous photocatalysis. For all of those compounds, the complete disappearance of the primary compound and the stoichiometric concentration of halides was achieved. Several halogenated intermediates and oxygenated compounds were identified, so that it was possible to predict the degradation pathways followed by such halomethanes. Whereas the reductive steps are predominant in the initial degradation of CCl{sub 3}Br and CBr{sub 3}F, the oxidative steps are predominant in the initial CH{sub 2}ClBr steps. The two pathways have comparable importance for CHCl{sub 2}Br degradation. Methanol, acting as a hole scavenger, strongly increases the rate of disappearance for CCl{sub 3}Br and CBr{sub 3}F.

  6. Features of arsenic coordination in AsXn complexes (X=F, Cl, Br, I)

    International Nuclear Information System (INIS)

    Investigation into stoichiometry of F-, Cl-, Br-, and I-containing arsenic complexes was conducted using Voronoi-Dirichlet polyhedrons (VDP). Decrease of third-dimensional effect of unshared electron pairs of As(3) atoms is established as decrease of electronegativity of surrounding atom in the AsFn-AsCln-AsBrn-AsIn system. Method of interlaced spheres may be used for determination of coordination number of arsenic atoms in the crystal structure. Whatever oxidation degree of arsenic atoms and their coordination numbers common linear dependences between solid angles of VDP Ω grains and internuclear distances r(As-X) corresponding those grains are observed. For I-containing arsenic compounds the equilibrium Ω(As-I) = 40(1) - 8.1(3) r(As-I) { = -0.940.91 contact As-I} is employed

  7. Growth mechanism of NaClO3 and NaBrO3 crystals from aqueous solutions

    Indian Academy of Sciences (India)

    V Surender; N Arundhathi; K Kishan Rao

    2006-10-01

    A study of growth rates of NaClO3 and NaBrO3 has been carried out using a small growth cell by in situ observation. Normal growth rates of {100} faces of NaClO3 and {111} faces of NaBrO3 along $\\langle 110 \\rangle$ direction are measured under relatively high supersaturation ranging from 3–8%. In the initial stages of growth, {100}, {110} and {111} faces develop in NaClO3 and gradually all the faces are replaced by the {100} faces only. In the case of NaBrO3, mostly {111} faces develop with occasional occurrence of small {100} faces at the intersection of {111} faces. The growth mechanisms are investigated from growth rate vs supersaturation plots and from the observations of surface features. In the present supersaturation range, the growth mechanism appears to be due to two-dimensional growth mechanism.

  8. Formability of ABX3 (X = F, Cl, Br, I) halide perovskites.

    Science.gov (United States)

    Li, Chonghea; Lu, Xionggang; Ding, Weizhong; Feng, Liming; Gao, Yonghui; Guo, Ziming

    2008-12-01

    In this study a total of 186 complex halide systems were collected; the formabilities of ABX3 (X = F, Cl, Br and I) halide perovskites were investigated using the empirical structure map, which was constructed by Goldschmidt's tolerance factor and the octahedral factor. A model for halide perovskite formability was built up. In this model obtained, for all 186 complex halides systems, only one system (CsF-MnF2) without perovskite structure and six systems (RbF-PbF2, CsF-BeF2, KCl-FeCl2, TlI-MnI2, RbI-SnI2, TlI-PbI2) with perovskite structure were wrongly classified, so its predicting accuracy reaches 96%. It is also indicated that both the tolerance factor and the octahedral factor are a necessary but not sufficient condition for ABX3 halide perovskite formability, and a lowest limit of the octahedral factor exists for halide perovskite formation. This result is consistent with our previous report for ABO3 oxide perovskite, and may be helpful to design novel halide materials with the perovskite structure. PMID:19029699

  9. Straightforward synthesis of [Au(NHC)X] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes.

    Science.gov (United States)

    Collado, Alba; Gómez-Suárez, Adrián; Martin, Anthony R; Slawin, Alexandra M Z; Nolan, Steven P

    2013-06-21

    An improved protocol for the synthesis of [Au(NHC)X] (X = Cl, Br, I) complexes is reported. This versatile one-step synthetic methodology proceeds under mild conditions, in air, using technical grade solvents, is scalable and is applicable to a wide range of imidazolium and imidazolidinium salts.

  10. An experimental study of formation of the mercury mixed halides HgClBr and HgBrI and of their purity

    Directory of Open Access Journals (Sweden)

    Rabia Ahmad

    2015-06-01

    Full Text Available Claims to have produced the mixed halides of mercury are very old. However, their stability or even their very existence was seriously questioned by Ammlung and Brill several decades back, on the basis of their study, in several solvents, of what was thought to be HgBrI. The mixed halide HgClI was already known to be unstable. On the basis of these facts, which were also lent some theoretical support, it was strongly conjectured that the mixed halides of mercury and similar elements, were expected to be unstable. However, the matter does not seem to have received the attention it deserved. It was in this light that this study was taken up. What has been thought to be HgClBr has been produced by several methods and HgBrI by one or rather two methods. The product has been subjected to X-ray diffraction, FTIR and Raman studies. Studies confined to the solid product are being reported here and only those results are being presented for which all the three techniques could be employed. These studies show that a new product is indeed formed in most of these cases, but the product is not pure in any of these cases, although the impurity seems to be quite small in most of these cases. This calls for having a thorough look at not only the mixed halides of the elements, but of all compounds claimed to be like:

  11. Characterization of intermolecular interaction between Cl2 and HX (X=F, Cl and Br: An ab initio, DFT, NBO and AIM study

    Directory of Open Access Journals (Sweden)

    Morteza Vatanparast

    2014-10-01

    Full Text Available The character of the intermolecular interactions in Cl2-HX (X =F, Cl and Br complexes has been investigated by means of the second-order Möller–Plesset perturbation theory (MP2 and the density functional theory (DFT calculations. The results show that there are two types of lowest interaction potential equilibrium structures in the interactions between Cl2 and HX: X∙∙∙Cl type geometry and hydrogen-bonded geometry. The calculated interaction energies show that the X∙∙∙Cl type structures are more stable than the corresponding hydrogen-bonded structures. The nature of the intermolecular interactions has been also investigated by natural bond orbital (NBO and atoms in molecules (AIM. The AIM analysis reveals that both types of intermolecular interactions are “closed-shell” noncovalent interactions.

  12. Structural and electronic properties of silicene on MgX2 (X = Cl, Br, and I)

    KAUST Repository

    Zhu, Jiajie

    2014-07-23

    Silicene is a monolayer of Si atoms in a two-dimensional honeycomb lattice, being expected to be compatible with current Si-based nanoelectronics. The behavior of silicene is strongly influenced by the substrate. In this context, its structural and electronic properties on MgX2 (X = Cl, Br, and I) have been investigated using first-principles calculations. Different locations of the Si atoms are found to be energetically degenerate because of the weak van der Waals interaction with the substrates. The Si buckling height is below 0.55 Å, which is close to the value of free-standing silicene (0.49 Å). Importantly, the Dirac cone of silicene is well preserved on MgX2 (located slightly above the Fermi level), and the band gaps induced by the substrate are less than 0.1 eV. Application of an external electric field and stacking can be used to increase the band gap. © 2014 American Chemical Society.

  13. Evaluation of Si etching yields by Cl{sup +} Br{sup +} and HBr{sup +} ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ito, Tomoko; Karahashi, Kazuhiro; Hamaguchi, Satoshi [Center for Atomic and Molecular Technologies, Osaka University (Japan); Kang, Song-Yun, E-mail: ito@ppl.eng.osaka-u.ac.j [Tokyo Electron Ltd (Japan)

    2010-06-01

    Cl2 and HBr plasmas are widely used for poly-Si gate electrode etching processes in the semiconductor industry. In this study, sputtering yields of poly Si by Br{sup +} and HBr{sup +}ion injections, simultaneous injections of thermal H atoms and energetic Br{sup +} ions, and successive injections of an energetic H{sup +} and Br{sup +} ion beams, have been evaluated with the use of a multi-beam system equipped with a mass-selected ion beam injector and a H radical source. It has been shown that there is little difference in sputtering yields among all these processes, which indicates that such hydrogen has little effect on the Si sputtering yield by Br{sup +} ion injections. The result contrasts with an earlier speculation that hydrogen in HBr plasmas significantly enhances the Si sputtering yield by Br{sup +} ion injections. In addition sputtering yields of poly Si by Cl{sup +} ion bombardment obtained from similar beam experiments have been presented for comparison.

  14. Modeling study of vibrational photochemical isotope enrichment. [HBr + Cl/sub 2/; HCl + Br/sub 2/

    Energy Technology Data Exchange (ETDEWEB)

    Badcock, C.C.; Hwang, W.C.; Kalsch, J.F.

    1978-09-29

    Chemical kinetic modeling studies of vibrational-photochemical isotope enrichment have been performed on two systems: Model (I), H/sup 79/Br(H/sup 81/Br) + Cl/sub 2/ and, Model (II), H/sup 37/Cl(H/sup 35/Cl) + Br. Pulsed laser excitation was modeled to the first excited vibrational level of H/sup 79/Br in Model I and the first and second excited vibrational levels of both HCl isotopes in Model II. These are prototype systems of exoergic (Model I) and endoergic (Model II) reactions. The effects on enrichment of varying the external parameters (pressure, laser intensity) and the internal parameters (rate constants for V-V exchange and excited-state reactions) were examined. Studies of these prototype systems indicate that a favorable reaction for enrichment, with isotopically-specific excitation and a significantly accelerated vibrationally-excited-state reaction should have the following properties: the reaction from v = 0 should be only moderately exoergic, and the most favorable coreactant should be a polyatomic species, such as alkyl radical. Direct excitation of the reacting vibrational level is at least an order of magnitude more favorable for enrichment than is population by energy transfer. Enrichment of the minor isotope by these processes is more effective than is major isotope enrichment. Within limits, increased laser intensity is beneficial. However, for sequential excitation of a second vibrational level, major isotope enrichment can be diminished by high populations of the first vibrational level.

  15. An experimental study of formation of the mercury mixed halides HgClBr and HgBrI and of their purity

    OpenAIRE

    Rabia Ahmad; Jamshed Ali; Qamer Faisal

    2015-01-01

    Claims to have produced the mixed halides of mercury are very old. However, their stability or even their very existence was seriously questioned by Ammlung and Brill several decades back, on the basis of their study, in several solvents, of what was thought to be HgBrI. The mixed halide HgClI was already known to be unstable. On the basis of these facts, which were also lent some theoretical support, it was strongly conjectured that the mixed halides of mercury and similar elements, were...

  16. The investigation of influence of iodine ions on a luminescence of Cd Br2 - Mn Cl2

    International Nuclear Information System (INIS)

    Optical and luminescence properties of the crystal Cd Br2 - Mn Cl2, Cd I2 are investigated in the 85 - 295 K temperature interval. It is found that additional doping Cd Br2 - Mn Cl2 with iodine results in increasing photo- and thermoluminescence efficiencies due to 4 Tlg (4 G) → 6 Alg(6S) electron-phonon transitions in Mn2+ -centers under LGI-21 nitric laser excitation. The additional band at 495 nm attributed to radiative recombination of excitons localized on I- ions is observed in X-ray luminescence spectra of the crystal at 85 K. The nature of activation bands in excitation spectra and the mechanism of the thermally stimulated luminescence are discussed

  17. A theoretical study of the carbenoids LiCH2X (X = Cl, Br, I) cyclopropanation reaction with ketene

    Indian Academy of Sciences (India)

    Xing Hui Zhang; Fu Long Zhang; Zhi Yuan Geng

    2010-05-01

    A computational study for the [2 + 1] addition of the lithium carbenoids LiCH2X (X = Cl, Br, I) with ketene have been investigated by means of the B3LYP hybrid density functional method. All the reactions examined displayed similar concerted mechanisms for the cyclopropanation of these reagents. The lithium carbenoids react with ketene via an asynchronous attack on one CH2 or C group of ketene with relatively low barrier to reaction in the range of 25.34-33.74 kJ/mol in THF solvent. The trend of the lithium carbenoids reaction barrier with ketene is LiCH2Cl < LiCH2Br < LiCH2I. The results show that the reactions could be highly chemical reactivity with low barriers and could be favoured in experiment. The reactions could proceed easily at lower temperature. The computational results are briefly compared to other carbenoid reactions and related species.

  18. Zintl Salts Ba2P7X (X = Cl, Br, and I: Synthesis, Crystal, and Electronic Structures

    Directory of Open Access Journals (Sweden)

    Juli-Anna Dolyniuk

    2013-08-01

    Full Text Available Two barium phosphide halides, Ba2P7Br and Ba2P7I, were synthesized and structurally characterized by single crystal X-ray diffraction. Both compounds crystallize in the monoclinic space group P21/m (No. 11 and are isostructural to Ba2P7Cl. The crystal structures of Ba2P7X (X = Cl, Br, I feature the presence of heptaphosphanortricyclane P73− clusters along with halogen anions and barium cations. According to the Zintl concept, Ba2P7X compounds are electron-balanced semiconductors. Quantum-chemical calculations together with UV-Visible spectroscopy confirm the title compounds are wide bandgap semiconductors. The bonding in the P73− clusters was analyzed by means of electron localization function. The elemental compositions were confirmed using energy dispersive X-ray spectroscopy.

  19. Theoretical study on O$\\cdots$Br and O$\\cdots$Cl halogen bonds in some small model molecular systems

    Indian Academy of Sciences (India)

    Damanjit Kaur; Rajinder Kaur

    2014-11-01

    Halogen bonding interactions of type X$\\cdots$O=C are important in various fields including biological systems. In this work, theoretical calculations were carried out using B3LYP/6-31++G∗∗, MP2/6-31++G∗∗ and MP2/aug-cc-pVDZ methods on a series of O$\\cdots$X halogen bonds between CH2O andCH3CHO as halogen bond acceptor with X-Y (X = Cl, Br; Y = CF3, CF2 H, CFH2, CN, CCH, CCCN) as halogen bond donors. The strength of interaction energy for O$\\cdots$Br halogen-bonded complexes varies from −2.16 to −5.26 kcal/mol while for O$\\cdots$Cl complexes, it is between −1.65 to −3.67 kcal/mol, which indicate the O$\\cdots$Br bond to be stronger in comparison to O$\\cdots$Cl bond. SAPT analysis suggests that the strength of halogen bonding arises from the electrostatic and induction forces while dispersion is playing a comparatively smaller role. The halogen-bonded interaction energies were found to correlate well with positive electrostatic potential VS,max, halogen bonded distances, and the change in s-character of C-X bond. The halogen-bonded interaction energies were also evaluated for O$\\cdots$I bonded complexes and thus these complexes were found to be stronger than O$\\cdots$Br and O$\\cdots$Cl bonded complexes.

  20. Vacuum-UV negative photoion spectroscopy of CH3F, CH3Cl and CH3Br

    OpenAIRE

    Rogers, N J; Simpson, M.J.; Tuckett, R. P.; Dunn, K; Latimer, C. J.

    2010-01-01

    Using tunable vacuum-UV radiation from a synchrotron, negative ions are detected by quadrupolar mass spectrometry following photoexcitation of three gaseous halogenated methanes CH\\(_3\\)X (X = F,Cl,Br). The anions X\\(^-\\), H\\(^-\\), CX\\(^-\\), CHX\\(^-\\) and CH\\(_2\\)X\\(^-\\) are observed, and their ion yields recorded in the range 8-35 eV. The anions show a linear dependence of signal with pressure, showing that they arise from unimolecular ion-pair dissociation, generically described as AB + h\\(...

  1. Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)

    International Nuclear Information System (INIS)

    Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work

  2. The effects of CaCl2 and CaBr2 on the reproduction of Daphnia magna Straus.

    Science.gov (United States)

    Mažuran, Neda; Hršak, Vladimir; Kovačević, Goran

    2015-06-01

    Concentrated CaCl2 and CaBr2 salt solutions of densities up to 2.3 kg L-1 are regularly used to control hydrostatic pressure in oil wells during special operations in the exploration and production of natural gas and crude oil. Various concentrations of high density salts are frequently left in mud pits near the drilling site as waste, polluting fresh and ground waters by spillage and drainage. The toxic effects of these salts have already been observed. This study investigated the effects of CaCl2 and CaBr2 on water flea Daphnia magna Straus in a 21-day reproduction test. The three tested concentrations of CaCl2 (240, 481, and 1925 mg L-1) caused a significant dose-response decrease of reproduction (p<0.001). With CaBr2 (533 and 1066 mg L-1), only aborted eggs were produced, demonstrating the embryotoxicity of the substance. The results suggest that high concentrations of the tested chemicals are harmful to Daphnia's reproduction and could reduce its abundance. PMID:26110475

  3. Bulk and surface band structure of the new family of semiconductors BiTeX (X=I, Br, Cl)

    Energy Technology Data Exchange (ETDEWEB)

    Moreschini, L., E-mail: lmoreschini@lbl.gov [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Autès, G. [Institute of Theoretical Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Crepaldi, A. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Moser, S. [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Johannsen, J.C. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Kim, K.S. [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Center for Artificial Low Dimensional Electronic Systems, Institute for Basic Science, Pohang 790-784 (Korea, Republic of); Berger, H.; Bugnon, Ph.; Magrez, A. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Denlinger, J.; Rotenberg, E.; Bostwick, A. [Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Yazyev, O.V. [Institute of Theoretical Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); and others

    2015-05-15

    Highlights: • We provide an ARPES comparison between the three tellurohalides BiTeX (X = I, Br, Cl). • They present a similar band structure with namely spin-split bulk and surface states. • They offer, except for BiTeCl, the possibility of ambipolar conduction. • They can be easily doped. • From the data appeared so far, BiTeBr may be the most appealing for applications. - Abstract: We present an overview of the new family of semiconductors BiTeX (X = I, Br, Cl) from the perspective of angle resolved photoemission spectroscopy. The strong band bending occurring at the surface potentially endows them with a large flexibility, as they are capable of hosting both hole and electron conduction, and can be modified by inclusion or adsorption of foreign atoms. In addition, their trigonal crystal structure lacks a center of symmetry and allows for both bulk and surface spin-split bands at the Fermi level. We elucidate analogies and differences among the three materials, also in the light of recent theoretical and experimental work.

  4. Caveats for poly(methimazolyl)borate chemistry: the novel inorganic heterocycles [H2C(mt)2BR2]Cl (mt = methimazolyl; BR2 = BH2, BH(mt), 9-BBN).

    Science.gov (United States)

    Crossley, Ian R; Hill, Anthony F; Humphrey, Elizabeth R; Smith, Matthew K; Tshabang, Never; Willis, Anthony C

    2004-08-21

    Whilst frequently used for reactions of poly(methimazolyl)borates, dichloromethane is not an innocent solvent, but rather slowly forms heterocyclic salts [H(2)C(mt)(2)BR(2)]Cl, three examples of which (BR(2) = BH(2), BH(mt), 9-borabicyclononyl) have been structurally characterised to confirm the unprecedented B(NCS)(2)C connectivity. PMID:15306929

  5. Theoretical Study of Decomposition Pathways for Rare-gas-containing Compounds HRgX (Rg = He, Ne, Ar, Kr; X = Cl, Br)

    Institute of Scientific and Technical Information of China (English)

    AI Chun-Zhi; SUN Ren-An; YAN Jie

    2005-01-01

    Eight species, HRgX (Rg = He, Ne, Ar, Kr; X = Cl, Br), are predicted to have bending transition states at B3PW91/AUG-cc-PVTZ level, leading to 2-body decomposition pathway like . The reaction path has been obtained with Intricate Reaction Coordinates (IRC) method on identical theoretical level. Additionally, the linear transition states of HArCl, HArBr, HKrCl and HKrBr were obtained at MP2/6-311++G (2d, 2p) level, resulting in 3-body dissociation channel as.

  6. Study of vibrational spectra of NH sub 4 Cl and NH sub 4 Br at high pressure

    CERN Document Server

    Glazkov, V P; Syrykh, G F; Kozlenko, D P; Savenko, B N; Telepnev, A S

    2002-01-01

    The NH sub 4 Cl vibrational spectra at the pressures up to 2.6 GPa and the NH sub 4 Br spectra at the pressures up to 7 GPa are studied through the method of the neutrons inelastic incoherent scattering. It is established that the linear baric dependence of the libration mode changes its inclination in the area above the pressure of transition from the disordered cubic phase to the ordered cubic phase with the CsCl-type structure. The baric dependence inclination of the cross-sectional optical translation mode remains unchanged. The evaluations of the Grueneisen parameters are presented in the one-dimensional approximation and the form of the potential function for the libration oscillations in the disordered and ordered cubic phases with the CsCl-type structure is calculated. It is shown that the observed effects are related to the high anharmonism of the potential in the disordered phase

  7. Reduction of Diaryldiselenides by System of Cp2TiCl2/ BuiMgBr/ THF and Its Application in Synthesis of Unsymmetrical Diaryl Selenides

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Reduction of diaryldiselenides by the system of Cp2TiCl2/BuiMgBr/THF gave the nucleophilic arylselenium complex. They reacted with diaryl iodonium salts to afford unsymmetrical diaryl selenides in high yields.

  8. Preparation and characterization of poly(lithium acrylate-arcylonitrile)/LiClO4-LiNO3-LiBr solid polymer electrolytes

    Institute of Scientific and Technical Information of China (English)

    PAN Chun-yue; YUAN Yun-lan; CHEN Zhen-hua; XU Xian-hua; ZHANG Jian

    2005-01-01

    Through orthogonal experiment, a new type of LiClO4-LiNO3-LiBr eutectic salt with optimum mole ratio of n(LiClO4):n(LiNO3):n(LiBr)=1.6:3.8:1.0 was prepared. The poly(lithium acrylate-acrylonitrile)/LiClO4-LiNO3-LiBr solid polymer electrolytes were prepared with poly(lithium acrylate-acrylonitrile) and LiClO4-LiNO3-LiBr eutectic salts. The effect of LiClO4-LiNO3-LiBr eutectic salts content on the conductivity of solid polymer electrolytes was studied by alternating current impedance method, and the structures of eutectic salts and solid polymer electrolytes were characterized by differential thermal analysis, infrared spectroscopy and X-ray diffractometry. The results show that the room temperature conductivity of LiClO4-LiNO3-LiBr eutectic salts reaches 3.11×10-4 S·cm-1. The poly(lithium acrylate-acrylonitrile)/LiClO4-LiNO3-LiBr solid polymer electrolytes possess the highest room temperature conductivity at 70% LiClO4-LiNO3-LiBr eutectic salts content, and exhibit lower glass transition temperature of 75 ℃ compared with that of poly(lithium acrylate-acrylonitrile) of 105 ℃. A complex may be formed in the solid polymer electrolytes from the differential thermal analysis and infrared spectroscopy analysis. X-ray diffraction results show that the poly(lithium acrylate-acrylonitrile) can suppress the crystallization of eutectic salts in this system.

  9. Theoretical study of the reactivity trends in the Cl-abstraction reactions of CHCl3 + CHX·−/CX$_{2}^{·−}$ (X = Cl, Br and I)

    Indian Academy of Sciences (India)

    Jun Xi Liang; Zhi Yuan Geng; Yong Cheng Wang

    2011-09-01

    To better understand how and to what extent the halosubstituted carbene radical anions effect the chlorine abstraction of CHCl3, a detailed theoretical investigation has been performed at the UMP2/6-311++G (d, p)/RECP level of theory. The model system CHCl3+CHX·−/CX$^{·−}_{2}$ (X = Cl, Br, and I) has been chosen for the present study. According to the detailed discussions of geometries and energetics of the optimized stationary points, our theoretical findings suggest that the Cl-abstraction reactions by CHX·− are energetically favourable, indicating the less massive substitution X in CHX·− the easier abstraction reaction, as compared to those by CX$^{·−}_{2}$, which are energetically unfavourable and would be endothermic.

  10. Electronic structure, elastic anisotropy, thermal conductivity and optical properties of calcium apatite Ca5(PO4)3X (X = F, Cl or Br)

    International Nuclear Information System (INIS)

    Highlights: • The degree of elastic anisotropy is ordered as follows BrA > ClA > FA. • The thermal conductivity in (112¯0) plane is smaller than in (0 0 0 1) plane. • The refractive indexes for FA, ClA and BrA are 1.17, 1.19 and 1.21, respectively. - Abstract: The density-functional theory with the generalized gradient approximation was performed to investigate the structural properties, phase stability, electronic structure, elastic properties, and optical properties of selected Ca5(PO3)4F (FA), Ca5(PO3)4Cl (ClA) and Ca5(PO3)4Br (BrA). Results of formation enthalpies show that FA is regarded as the most stable one in these apatites. The electronic structures including band structure, density of states and Mulliken analysis have been discussed. The predicted elastic moduli results indicate that the degree of elastic anisotropy is ordered as follows BrA > ClA > FA. By using the Clarke’s model and Cahill’s model, the thermal conductivities and the anisotropy in thermal conductivity have also been analyzed. Optic properties results indicate that the refractive indexes n for FA, ClA and BrA are 1.17, 1.19 and 1.21, respectively

  11. Electronic structure, elastic anisotropy, thermal conductivity and optical properties of calcium apatite Ca{sub 5}(PO{sub 4}){sub 3}X (X = F, Cl or Br)

    Energy Technology Data Exchange (ETDEWEB)

    Li, Cheng-Xiu [Kunming University of Science and Technology, Kunming 650093 (China); Institute of Multipurpose Utilization of Mineral Resources, Chinese Academy of Geological Sciences, Chengdu 610041 (China); Research Center of Multipurpose Utilization of Metal Mineral Resources of China Geological Survey, Chengdu 610041 (China); Duan, Yong-Hua, E-mail: duanyh@kmust.edu.cn [Kunming University of Science and Technology, Kunming 650093 (China); Hu, Wen-Cheng [School of Mechanical and Electrical Engineering, Nanchang University, Nanchang 330031 (China)

    2015-01-15

    Highlights: • The degree of elastic anisotropy is ordered as follows BrA > ClA > FA. • The thermal conductivity in (112{sup ¯}0) plane is smaller than in (0 0 0 1) plane. • The refractive indexes for FA, ClA and BrA are 1.17, 1.19 and 1.21, respectively. - Abstract: The density-functional theory with the generalized gradient approximation was performed to investigate the structural properties, phase stability, electronic structure, elastic properties, and optical properties of selected Ca{sub 5}(PO{sub 3}){sub 4}F (FA), Ca{sub 5}(PO{sub 3}){sub 4}Cl (ClA) and Ca{sub 5}(PO{sub 3}){sub 4}Br (BrA). Results of formation enthalpies show that FA is regarded as the most stable one in these apatites. The electronic structures including band structure, density of states and Mulliken analysis have been discussed. The predicted elastic moduli results indicate that the degree of elastic anisotropy is ordered as follows BrA > ClA > FA. By using the Clarke’s model and Cahill’s model, the thermal conductivities and the anisotropy in thermal conductivity have also been analyzed. Optic properties results indicate that the refractive indexes n for FA, ClA and BrA are 1.17, 1.19 and 1.21, respectively.

  12. Unconventional superconductivity in electron-doped layered metal nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

    Energy Technology Data Exchange (ETDEWEB)

    Kasahara, Yuichi, E-mail: ykasahara@scphys.kyoto-u.ac.jp [Department of Physics, Kyoto University, Kyoto 606-8502 (Japan); Kuroki, Kazuhiko, E-mail: kuroki@phys.sci.osaka-u.ac.jp [Department of Physics, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Yamanaka, Shoji, E-mail: syamana@hiroshima-u.ac.jp [Department of Applied Chemistry, Graduate School of Engineering, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8527 (Japan); Taguchi, Yasujiro, E-mail: y-taguchi@riken.jp [RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198 (Japan)

    2015-07-15

    In this review, we present a comprehensive overview of superconductivity in electron-doped metal nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I) with layered crystal structure and two-dimensional electronic states. The parent compounds are band insulators with no discernible long-range ordered state. Upon doping tiny amount of electrons, superconductivity emerges with several anomalous features beyond the conventional electron–phonon mechanism, which stimulate theoretical investigations. We will discuss experimental and theoretical results reported thus far and compare the electron-doped layered nitride superconductors with other superconductors.

  13. Magnetic Torque Studies of π-d System κ-(BDH-TTP)2FeX4 (X = Br, Cl)

    Science.gov (United States)

    Sugii, Kaori; Takai, Kazuyuki; Tsuchiya, Satoshi; Uji, Shinya; Terashima, Taichi; Akutsu, Hiroki; Wada, Atsushi; Ichikawa, Shun; Yamada, Jun-ichi; Enoki, Toshiaki

    2014-02-01

    Systematic measurements of the magnetic torque of organic π-d conductors κ-(BDH-TTP)2FeX4 (X = Br, Cl) have been performed to investigate the magnetic properties. The Fe 3d spins of both salts show antiferromagnetic (AF) orders at low temperatures. A simple two-sublattice model is found to well reproduce the essential features of the torque data in the AF states. The exchange interaction and anisotropic parameter of the ligand field obtained by the simulations are consistent with previous experimental results.

  14. Viscosimetric investigations of NaCl and NaBr in hexamethylphosphoramidc-water mixtures at 298.15 K

    OpenAIRE

    Jóżwiak, Małgorzata

    1991-01-01

    This work was supported by the CPBP 01.15 programme of Ministry of Higher Education, Poland The maesurements of density and viscosity of hexamethylphosphoramida (HMPA)-water mixtures containing NaCl and NaBr were performed at 298.15 K. The B-coefficients of the Jones-Dole equation were calculated. The relative viscosity and the B-coefficient are discussed in this work together with the standard enthalpy of solution of the electrolytes in HMPA-H₂O mixtures at 298.15 K. Prz...

  15. In situ quantification of Br and Cl in minerals and fluid inclusions by LA-ICP-MS: a powerful tool to identify fluid sources

    Science.gov (United States)

    Hammerli, Johannes; Rusk, Brian; Spandler, Carl; Emsbo, Poul; Oliver, Nicholas H.S.

    2013-01-01

    Bromine and chlorine are important halogens for fluid source identification in the Earth's crust, but until recently we lacked routine analytical techniques to determine the concentration of these elements in situ on a micrometer scale in minerals and fluid inclusions. In this study, we evaluate the potential of in situ Cl and Br measurements by LA-ICP-MS through analysis of a range of scapolite grains with known Cl and Br concentrations. We assess the effects of varying spot sizes, variable plasma energy and resolve the contribution of polyatomic interferences on Br measurements. Using well-characterised natural scapolite standards, we show that LA-ICP-MS analysis allows measurement of Br and Cl concentrations in scapolite, and fluid inclusions as small as 16 μm in diameter and potentially in sodalite and a variety of other minerals, such as apatite, biotite, and amphibole. As a demonstration of the accuracy and potential of Cl and Br analyses by LA-ICP-MS, we analysed natural fluid inclusions hosted in sphalerite and compared them to crush and leach ion chromatography Cl/Br analyses. Limit of detection for Br is ~8 μg g−1, whereas relatively high Cl concentrations (> 500 μg g−1) are required for quantification by LA-ICP-MS. In general, our LA-ICP-MS fluid inclusion results agree well with ion chromatography (IC) data. Additionally, combined cathodoluminescence and LA-ICP-MS analyses on natural scapolites within a well-studied regional metamorphic suite in South Australia demonstrate that Cl and Br can be quantified with a ~25 μm resolution in natural minerals. This technique can be applied to resolve a range of hydrothermal geology problems, including determining the origins of ore forming brines and ore deposition processes, mapping metamorphic and hydrothermal fluid provinces and pathways, and constraining the effects of fluid–rock reactions and fluid mixing.

  16. Silicene/germanene on MgX2(X = Cl, Br, and I) for Li-ion battery applications

    KAUST Repository

    Zhu, Jiajie

    2016-03-15

    Silicene is a promising electrode material for Li-ion batteries due to its high Li capacity and low Li diffusion barrier. Germanene is expected to show a similar performance due to its analogous structural and electronic properties. However, the performance of both the materials will be determined by the substrate, since freestanding configurations are unstable. We propose Si/MgX2 and Ge/MgX2 (X = Cl, Br, and I) as suitable hybrid structures, based on first-principles calculations. We find that Li will not cluster and that the Li capacity is very high (443 and 279 mA h g-1 for silicene and germanene on MgCl2, respectively). Sandwich structures can be used to further enhance the performance. Low diffusion barriers of less than 0.3 eV are predicted for all the hybrid structures. © The Royal Society of Chemistry 2016.

  17. Trace-element compositions and Br/Cl ratios of fluid inclusions in the Tsushima granite, Japan: Significance for formation of granite-derived fluids

    Science.gov (United States)

    Kurosawa, Masanori; Sasa, Kimikazu; Shin, Ki-Choel; Ishii, Satoshi

    2016-06-01

    Fluid inclusions in quartz samples from a miarolitic cavity, two quartz veins, and a hydrothermal ore vein in the Tsushima granite, Japan, were analyzed by particle-induced X-ray emission to examine the chemistry and process of formation of hydrothermal fluids in an island-arc granite. Most of the inclusions were polyphase or vapor, and there were smaller numbers of two-phase aqueous inclusions. The inclusions contained Cl, K, Ca, Ti, Mn, Fe, Cu, Zn, Ge, Br, Rb, Sr, Ba, and Pb. For each inclusion, there was a strong positive correlation between Cl content and contents of other elements identified. Concentration ranges for most elements (other than Rb and Ge) in polyphase inclusions from the miarolitic cavity were comparable to those from cavities in alkaline granites; those from the ore vein were comparable to large-scale continental hydrothermal ore deposits. The lower Rb and higher Ge contents in the polyphase inclusions of the Tsushima granite may be characteristic of hydrothermal fluids from calc-alkaline granites in an island-arc setting. Br/Cl ratios (by weight) for the vapor and two-phase inclusions were 0.0013-0.0030 and differed among the three geological settings. Br/Cl ratios of polyphase inclusions increased with increasing Cl content in single-crystal and polycrystalline quartz, and high values of more than 0.0100 were found. The high Br/Cl ratios and the differences among the geological settings sampled may be due to pressure dependences of partitioning of Cl and Br between fluid and magma during fluid segregation and between liquid and vapor during boiling. Using a simple model based on these dependences, we calculated Br/Cl ratios greater than 0.01 in brine generated at pressures polyphase and vapor inclusions from each geological setting were attributed to mixing between two end-member fluids: a high Br/Cl fluid generated at low pressure and a low Br/Cl fluid generated at high pressure. Br/Cl ratios of polyphase inclusions in quartz may be a key

  18. Multiple bonds to gold: a theoretical investigation of XAuC (X = F, Cl, Br, I) molecules

    International Nuclear Information System (INIS)

    Structures and spectroscopic properties are reported for the linear XAuC (X = F, Cl, Br, I) series of molecules and their related diatomic species at a high level of accuracy. The singles and doubles coupled cluster method including a perturbational correction for connected triple excitations, CCSD(T), with systematic sequences of new correlation consistent basis sets have been employed. Scalar relativistic effects have been accurately included by making use of relativistic effective core potentials. Extrapolation to the complete basis set limit has been used with accurate treatments of core-valence correlation and spin-orbit effects in order to accurately predict spectroscopic properties, as well as dissociation and atomization energies at 0 K of AuC, AuC+, AuF, AuCl, AuBr, AuI, and the XAuC molecules. The Au-C bond length in the FAuC molecule is predicted to be nearly identical to that calculated for AuC+, which makes it the shortest known for a neutral gold molecule. The Au-C and Au-F (0 K) bond dissociation energies in FAuC are predicted to be 92.5 and 93.1 kcal/mol, respectively, also making them some of the strongest known bonds to gold

  19. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4]- (X = F, Cl, Br, I, At, Uus).

    Science.gov (United States)

    Li, Wan-Lu; Li, Yong; Xu, Cong-Qiao; Wang, Xue-Bin; Vorpagel, Erich; Li, Jun

    2015-12-01

    Systematic theoretical and experimental investigations have been performed to understand the periodicity, electronic structures, and bonding of gold halides using tetrahalide [AuX4](-) anions (X = F, Cl, Br, I, At, Uus). The [AuX4](-) (X = Cl, Br, I) anions were experimentally produced in the gas phase, and their negative-ion photoelectron spectra were obtained, exhibiting rich and well-resolved spectral peaks. As expected, Au-X bonds in such series contain generally increasing covalency when halogen ligands become heavier. We calculated the adiabatic electron detachment energies as well as vertical electron detachment energies using density functional theory methods with scalar relativistic and spin-orbit coupling effects. The computationally simulated photoelectron spectra are in good agreement with the experimental ones. Our results show that the trivalent Au(III) oxidation state becomes progressively less stable while Au(I) tends to be preferred when the halides become heavier along the Periodic Table. This series of molecules provides an example for manipulating the oxidation state of metals in complexes through ligand design. PMID:26550845

  20. Decolorization of Blue CL-BR dye by AOPs using bleach wastewater as source of H2O2

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    This research was focused on the investigation of the efficacy of advanced oxidation processes (Fenton, ozonation and UV/H2O2)for decolorization of reactive azo dye (Blue CL-BR) using bleach wastewater as possible source of H2O2. All the experiments were performed on the laboratory scale set-up. Thc results showed that colour removal efficiencies by UV or bleach (H2O2) alone were not so efficient. Fenton process with bleach wastewater was found to be the most effective at process conditions such as pH of 3 and H2O2/Fe2+ratio of 24:1, resulting in 64% colour removal. Almost complete colour removal, i.e., 99% and 95% were achieved by UV/H2O2 and UV/bleach wastewater in 30 and 60 min, respectively. Ozonation proved an efficient method for decolorization of Blue CL-BR dye at alkaline pH. It was possible to achieve 98% colour removal with 30 min of ozonation at pH 9. The colour removal of dye was found to follow first order kinetics.

  1. Parameter Estimation by Density Functional Theory for a Lattice-gas Model of Br and Cl Chemisorption on Ag(100)

    CERN Document Server

    Juwono, Tjipto; Rikvold, Per Arne; Wang, Sanwu

    2011-01-01

    We study Bromine and Chlorine chemisorption on a Ag(100) surface, using a lattice-gas model and the quantum-mechanical Density Functional Theory (DFT) method. In this model the Br and Cl ions adsorb at the fourfold hollow sites of the Ag(100) surface, which can be represented by a square lattice of adsorption sites. Five different coverages were used for each kind of adsorbate. For each adsorbate and coverage, we obtained the minimum-energy configuration, its energy, and its charge distribution. From these data we calculated dipole moments, lateral interaction energies, and binding energies. Our results show that for Br the lateral interactions obtained by fitting to the adsorption energies obtained from the DFT calculation are consistent with long-range dipole-dipole lateral interactions obtained using the dipole moments calculated from the DFT charge distribution. For Cl we found that, while the long-range dipole-dipole lateral interactions are important, short-range attractive interactions are also present...

  2. The tunable quantum spin ladder Cu(Qnx)(Cl{sub (1−x)}Br{sub x}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Povarov, K.Yu., E-mail: povarovk@phys.ethz.ch [Neutron Scattering and Magnetism, Laboratory for Solid State Physics, ETH Zürich (Switzerland); Lorenz, W.E.A. [Neutron Scattering and Magnetism, Laboratory for Solid State Physics, ETH Zürich (Switzerland); Xiao, F.; Landee, C.P. [Department of Physics, Clark University, Worcester, MA 01610 (United States); Krasnikova, Y. [P.L. Kapitza Institute for Physical Problems RAS, 119334, Moscow (Russian Federation); Moscow Institute for Physics and Technology, 141700 Dolgoprudny (Russian Federation); Zheludev, A. [Neutron Scattering and Magnetism, Laboratory for Solid State Physics, ETH Zürich (Switzerland)

    2014-12-15

    We report magnetic, specific heat and ESR measurements on a series of S=1/2 spin ladder compounds Cu(Qnx)(Cl{sub (1−x)}Br{sub x}){sub 2}. Down to T=2 K all the observables can be described by the spin ladder model with about 1% of S=1/2 impurities in the background, which are present even in a nominally pure Cu(Qnx)Cl{sub 2} and Cu(Qnx)Br{sub 2}, for the whole range of 0≤x≤1. We extract ladder exchange constants J{sub l}(x) and J{sub r}(x) as well as the gap value Δ(x) by comparing the experimental data to quantum Monte-Carlo simulations. As the ESR measurements show the g-factor of impurities to be precisely equal to g-factor of the ladder spins, we suppose the impurities to be the consequence of structural defects resulting in broken ladder ends. - Highlights: • A family of isostructural spin-ladder compounds was investigated. • A variation in exchange parameters with the degree of chemical substitution was found. • A small amount of paramagnetic spins was attributed to structural defects in a ladder.

  3. Electronic properties of PbX₃CH₃NH₃ (X = Cl, Br, I) compounds for photovoltaic and photocatalytic applications.

    Science.gov (United States)

    Melissen, Sigismund Teunis Alexander George; Labat, Frédéric; Sautet, Philippe; Le Bahers, Tangui

    2015-01-21

    Since the discovery of their excellent performance as the light-absorbing semiconducting component in photovoltaic cells, the PbX3CH3NH3 (X = I, Br, Cl) perovskites have received renewed attention. The five polymorphs stable above 200 K - the tetragonal phases for X = I, Br, Cl and the cubic phases for X = I, Br - were studied using periodic DFT calculations involving hybrid functionals (PBE0 and HSE), employing Gaussian-type orbitals as well as plane waves and including relativistic effects (spin-orbit coupling). The influence of the halogen substitution and of the crystal phase on these properties is analysed by comparing the properties obtained in this study to the experimental ones and to the theoretical ones computed using other methods. We show that an accurate treatment of these systems requires the description of dispersion forces and spin-orbit coupling. The different time scales for the electronic and vibrational components of the polarizability inspire the hypothesis that several interfacial charge transfer mechanisms are encountered in the working principle of the photovoltaic devices involving these perovskite materials. The heavy elements in the structure (Pb, I) play a major role in the high polarizability and the low effective charge carrier masses and hence in the low exciton binding energies and the high charge mobility. This systematic work on the PbX3CH3NH3 family offers to theoreticians an overview of the landscape of quantum chemical methods to enable a reasonable choice of methodology for studying these systems. PMID:25483273

  4. Estudio comparativo de las moléculas isovalentes de interés atmosférico CF3Cl y CF3Br y sus correspondientes halógenos aislados Cl y Br.

    Science.gov (United States)

    Mayor, E.; Velasco, A. M.; Martín, I.; Lavín, C.

    Los estados Rydberg moleculares han suscitado en los últimos años un creciente interés entre los espectroscopistas experimentales, motivado en parte por el desarrollo de nuevas técnicas espectroscópicas capaces de investigar estos estados altamente excitados electrónicamente. Los procesos de fotoabsorción que implican estados Rydberg en los derivados halogenados del metano son de gran importancia, debido a su abundancia en la atmósfera y a sus implicaciones medioambientales. Por ello, la obtención de datos relativos a sus fuerzas de oscilador es de gran interés. En este trabajo se aborda el estudio de dichas propiedades para las moléculas isovalentes CF3Cl y CF3Br. Ambas moléculas presentan idéntica estructura electrónica para el estado fundamental por lo que se espera que sus espectros Rydberg presenten grandes similitudes, en ausencia de perturbaciones. Por ello y dada la escasez de datos relativos a fuerzas de oscilador, hemos establecido la corrección de nuestros resultados en base a las analogías esperadas en las intensidades espectrales correspondientes a transiciones análogas. Por otro lado, Novak y col. [1] han encontrado experimentalmente un marcado carácter atómico en el espectro correspondiente a estas moléculas, siendo muy similar a los de los átomos de Cl y Br. Por ello en el presente trabajo, además de establecer la comparación entre ambas moléculas hemos buscado las similitudes con sus respectivos halógenos. Los cálculos relativos a las especies moleculares se han realizado utilizando la Metodología Molécular de Orbítales de Defecto Cuántico (MQDO) [2], mientras que para el estudio de los átomos de Cl y Br se empleó la versión relativista del método (RQDO) [3].

  5. Comparison of the directionality of the halogen, hydrogen, and lithium bonds between HOOOH and XF (X = Cl, Br, H, Li).

    Science.gov (United States)

    Liu, Lixun; Meng, Lingpeng; Zhang, Xueying; Zeng, Yanli

    2016-03-01

    Detailed electrostatic potential (ESP) analyses were performed to compare the directionality of halogen bonds with those of hydrogen bonds and lithium bonds. To do this, the interactions of HOOOH with the molecules XF (X = Cl, Br, H, Li) were investigated. For each molecule, the percentage of the van der Waals (vdW) molecular surface that intersected with the ESP surface was used to roughly quantify the directionality of the halogen/hydrogen/lithium bond associated with the molecule. The size of the region of intersection was found to increase in the following order: ClF BrF BrF BrF, the positive electrostatic potential was concentrated in a very small region of the vdW molecular surface. On the other hand, for HF and LiF, the positive electrostatic potential was more diffusely scattered across the vdW surface than for ClF and BrF. Also, the optimized geometries of the dipolymers HOOOH··· XF (X = Cl, Br, H, Li) indicated that halogen bonds are more directional than hydrogen bonds and lithium bonds, consistent with the results of ESP analyses. PMID:26847451

  6. Simultaneously promoting charge separation and photoabsorption of BiOX (X = Cl, Br) for efficient visible-light photocatalysis and photosensitization by compositing low-cost biochar

    Science.gov (United States)

    Li, Min; Huang, Hongwei; Yu, Shixin; Tian, Na; Dong, Fan; Du, Xin; Zhang, Yihe

    2016-11-01

    Exploration of novel and efficient composite photocatalysts is of great significance for advancing the practical application of photocatalysis. BiOX (X = Cl, Br) is a kind of promising photocatalysts, but the charge separation efficiency and photoabsorption need to be ameliorated. In this work, we first employ a low-cost and easily accessable carbon material biochar to modify BiOX (X = Cl, Br) and develop biochar/BiOX (X = Cl, Br) composite photocatalysts via a facile in-situ deposition method. The as-prepared composites are detailedly characterized by SEM, SEM-mapping, TEM, XRD and XPS, and DRS result demonstrates that the visible-light absorption of BiOX (X = Cl, Br) catalysts can be exceedingly enhanced by biochar. The biochar/BiOX (X = Cl, Br) composites are found to unfold remarkably enhanced visible-light-driven photocatalytic activity toward degradation of MO and photocurrent generation. The strengthened photocatalytic performance mainly stems from the profoundly improved charge separation and delivery efficiency, as evidenced by the electrochemical impedance spectra (EIS), photoluminescence (PL), and time-resolved PL decay spectra. Additionally, the biochar exerts importance in enhancing the two different types of photochemical reactions of BiOBr and BiOCl, in which the photocatalytic mechanisms are found to be photocatalysis and photosensitization process, respectively. The present work may open up a new avenue for framing economic and efficient photocatalytic materials and new composite materials for photoelectric application.

  7. Chlorine isotope and Cl-Br fractionation in fluids of Poás volcano (Costa Rica): Insight into an active volcanic-hydrothermal system

    Science.gov (United States)

    Rodríguez, Alejandro; Eggenkamp, H. G. M.; Martínez-Cruz, María; van Bergen, Manfred J.

    2016-10-01

    Halogen-rich volcanic fluids issued at the surface carry information on properties and processes operating in shallow hydrothermal systems. This paper reports a long-term record of Cl-Br concentrations and δ37Cl signatures of lake water and fumaroles from the active crater of Poás volcano (Costa Rica), where surface expressions of magmatic-hydrothermal activity have shown substantial periodic changes over the last decades. Both the hyperacid water of its crater lake (Laguna Caliente) and subaerial fumaroles show significant temporal variability in Cl-Br concentrations, Br/Cl ratios and δ37Cl, reflecting variations in the mode and magnitude of volatile transfer. The δ37Cl signatures of the lake, covering the period 1985-2012, show fluctuations between + 0.02 ± 0.06‰ and + 1.15 ± 0.09‰. Condensate samples from adjacent fumaroles on the southern shore, collected during the interval (2010-2012) with strong changes in gas temperature (107-763°C), display a much larger range from - 0.43 ± 0.09‰ to + 14.09 ± 0.08‰. Most of the variations in Cl isotope, Br/Cl and concentration signals can be attributed to interaction between magma-derived gas and liquid water in the volcanic-hydrothermal system below the crater. The δ37Cl were lowest and closest to magmatic values in (1) fumarolic gas that experienced little or no interaction with subsurface water and followed a relatively dry pathway, and (2) water that captured the bulk of magmatic halogen output so that no phase separation could induce fractionation. In contrast, elevated δ37Cl can be explained by partial scavenging and fractionation during subsurface gas-liquid interaction. Hence, strong Cl isotope fractionation leading to very high δ37Cl in Poás' fumaroles indicates that they followed a wet pathway. Highest δ37Cl values in the lake water were found mostly in periods when it received a significant input from subaqueous fumaroles or when high temperatures and low pH caused HCl evaporation. It is

  8. Photoelectrochemical Properties of AgX(Cl, Br)-TiO2 Heterojunction Nanocomposites%AgX(Cl,Br)-TiO2复合材料光电化学研究

    Institute of Scientific and Technical Information of China (English)

    张亚萍; 张安玉; 于濂清; 董开拓; 李焰; 郝兰众

    2016-01-01

    Sunlight-driven photoelectrochemical water splitting into hydrogen and oxygen presents a great way to develop green solar energy. Titanium dioxide is believed to be one of the most stable photoanode materials. Here, ordered TiO2 nanotube arrays were prepared by anodic oxidation method. Then AgCl or AgBr were successfully de-posited on TiO2 nanotube arrays by dipping method. The morphology and crystal structures of AgX-TiO2 heterojunc-tions were tested by X-ray diffraction (XRD) and field emission scanning electron microscopy (FESEM). The results showed that AgCl was deposited with 50 nm thickness and 1μm length structure, while AgBr can be evenly dis-persed on surface of TiO2 nanotube arrays. AgX amount increased with extending impregnation recycling time, and formed different surface morphology of nanotube arrays. Electrochemical test indicated that suitable amount of AgBr in the TiO2nanotube arrays improved the photoelectrochemical properties, an optimum photoconversion efficiency obtained at 2.67%. Excess deposited AgX will lead to incompletely utilizing sunlight due to blocked nanotube arrays, and result in lower photoconversion efficiency.%以阳极氧化法制备的高度有序TiO2纳米管阵列作为基底,用沉积法在TiO2纳米管上复合AgCl和AgBr纳米颗粒形成AgX-TiO2异质结.采用XRD、FESEM等分析结果表征,结果表明:AgCl以厚度为50 nm、长度为1μm的片状结构堆叠分布,AgBr的沉积过程较温和,沉积速度相对更慢,均匀分散在TiO2纳米管表面;随着沉积次数增加,纳米管阵列表面形貌发生改变.光电化学研究表明:样品经过复合AgBr后,可以有效提高TiO2纳米管阵列的光电转化效率,当AgBr沉积1次时,其光电转化效率达到2.67%,而复合的AgCl对于TiO2纳米管阵列的光电效率改善效果欠佳.

  9. A High Resolution Phoswich Detector: LaBr3(Ce) Coupled With LaCl3(Ce)

    Science.gov (United States)

    Carmona-Gallardo, M.; Borge, M. J. G.; Briz, J. A.; Gugliermina, V.; Perea, A.; Tengblad, O.; Turrión, M.

    2010-04-01

    An innovative solution for the forward end-cap CALIFA calorimeter of R3B is under investigation consisting of two scintillation crystals, LaBr3 and LaCl3, stacked together in a phoswich configuration with one readout only. This dispositive should be capable of a good determination of the energy of protons and gamma radiation. This composite detector allows to deduce the initial energy of charged particles by ΔE1+ΔE2 identification. For gammas, the simulations show that there is a high probability that the first interaction occurs inside the scintillator at few centimeters, with a second layer, the rest of the energy is absorbed, or it can be used as veto event in case of no deposition in the first layer. One such a detector has been tested at the Centro de MicroAnálisis de Materiales (CMAM) in Madrid. Good resolution and time signal separation have been achieved.

  10. High-pressure synthesis and crystal structures of beta- M NX (M = Zr, Hf; X = Cl, Br, I)

    CERN Document Server

    Chen, X; Yamanaka, S

    2002-01-01

    The single crystals of six kinds of metal nitride halide, beta- M NX (M = Zr, Hf; X = Cl, Br, I), were grown in sealed Au (or Pt) tubes by the reaction of M N or M NX powders with NH sub 4 X as fluxes under high-temperature and high-pressure conditions such as 3-5 GPa at 900-1200 sup o C. The x-ray structure analysis revealed that all six kinds of compound crystallize in a rhombohedral space group R3-bar m, Z = 6. beta-ZrNCl, beta-ZrNBr, and beta-HfNCl are isotypic with SmSI, and the others isostructural with YOF.

  11. Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems.

    Science.gov (United States)

    Gómez, Sergio S; Aucar, Gustavo A

    2011-05-28

    We present ab inito full four-component and spin-free calculations of the NMR shielding parameter, σ, in the FX (X = F, Cl, Br, I and At) molecular systems. A different expression that overcomes the traditional non-relativistic (NR) approximation used to calculate the relationship between spin-rotation constants and the paramagnetic terms of σ(p) are given. Large deviations from NR results are obtained for σ(X; X = I and At) and for σ(F; FAt). σ(∥)(p)(I; FI) is zero within the NR approach but -447.4 parts per million from our calculations. The electronic origin of relativistic corrections are analyzed. All passive SO contributions are obtained as a difference between full four-component calculations and spin-free ones. Considering relativistic effects on the anisotropy, we obtain a deviation of 10% for I and 25% for At. σ(∥)(SO)(X) is always negative and σ(∥)(SF)(X) is always positive; the passive SO becomes larger than the SF one for X = Br, I, and At. Both σ(∥)(SO)(X) and σ(⊥)(SO)(X) have a functional dependence such as a Z(X)(b) being the exponent 3.5 and 3.65, respectively. The passive SO contribution to the anisotropy has a similar functional dependence with an exponent of 3.60, meaning that its perpendicular component is larger than its corresponding parallel component. PMID:21639447

  12. Structural and energetic properties of closed shell XF(n) (X = Cl, Br, and I; n = 1-7) and XO(n)F(m) (X = Cl, Br, and I; n = 1-3; m = 0-6) molecules and ions leading to stability predictions for yet unknown compounds.

    Science.gov (United States)

    Thanthiriwatte, K Sahan; Vasiliu, Monica; Dixon, David A; Christe, Karl O

    2012-10-15

    Atomization energies at 0 K and heats of formation at 0 and 298 K were predicted for the closed shell compounds XF, XF(2)(-), XF(2)(+), XF(3), XF(4)(-), XF(4)(+), XF(5), XF(6)(-), XF(6)(+) (X = Cl and Br) and XO(+), XOF, XOF(2)(-), XOF(2)(+), XOF(3), XOF(4)(-), XOF(4)(+), XOF(5), XOF(6)(-), XO(2)(+), XO(2)F, XO(2)F(2)(-), XO(2)F(2)(+), XO(2)F(3), XO(2)F(4)(-), XO(3)(+), XO(3)F, XO(3)F(2)(-) (X = Cl, Br, and I) using a composite electronic structure approach based on coupled cluster CCSD(T) calculations extrapolated to the complete basis set limit with additional corrections. The calculated heats of formation are in good agreement with the available experimental data. The calculated heats of formation were used to predict fluoride affinities, fluorine cation affinities, and F(2) binding energies. On the basis of our results, BrOF(5) and BrO(2)F(3) are predicted to be stable against spontaneous loss of F(2) and should be able to be synthesized, whereas BrF(7), ClF(7), BrOF(6)(-), and ClOF(6)(-) are unstable by a very wide margin. The stability of ClOF(5) is a borderline case. Although its F(2) loss is predicted to be exothermic by 4.4 kcal/mol, it may have a sufficiently large barrier toward decomposition and be preparable. This situation would resemble ClO(2)F(3) which was successfully synthesized in spite of being unstable toward F(2) loss by 3.3 kcal/mol. On the other hand, the ClOF(4)(+) and BrOF(4)(+) cations are less likely to be preparable with F(2) loss exothermicities of -17.5 and -9.3 kcal/mol, respectively. On the basis of the F(-) affinities of ClOF (45.4 kcal/mol), BrOF (58.7 kcal/mol), and BrO(2)F(3) (65.7 kcal/mol) and their predicted stabilities against loss of F(2), the ClOF(2)(-), BrOF(2)(-), and BrO(2)F(4)(-) anions are excellent targets for synthesis. Our previous failure to prepare the ClO(2)F(4)(-) anion can be rationalized by the predicted high exothermicity of -17.4 kcal/mol for the loss of F(2). PMID:23009656

  13. A simple model for calculating the bulk modulus of the mixed ionic crystal: NH4Cl1−xBr

    Indian Academy of Sciences (India)

    Vassiliki Katsika-Tsigourakou

    2011-10-01

    The ammonium halides are an interesting systems because of their polymorphism and the possible internal rotation of the ammonium ion. The static properties of the mixed ionic crystal NH4Cl1−Br have been recently investigated, using the three-body potential model (TDPM) by applying Vegard’s law. Here, by using a simple theoretical model, we estimate the bulk modulus of the alloys NH4Cl1−Br, in terms of the bulk modulus of the end members alone. The calculated values are comparable to those deduced from the three-body potential model (TDPM) by applying Vegard’s law.

  14. Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange

    OpenAIRE

    Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang

    2015-01-01

    Perovskite-related materials have received increasing attention for their broad applications in photovoltaic solar cells and information technology due to their unique electrical and magnetic properties. Here we report three new antiperovskite chalco-halides: Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br. All of them were found to be good solar light absorbers. Remarkably, although the shortest Fe-Fe distance exceeds 6 Å, an unexpected anti-ferromagnetic phase transition near 100 K was observed ...

  15. Further Analysis of Boiling Points of Small Molecules, CH[subscript w]F[subscript x]Cl[subscript y]Br[subscript z

    Science.gov (United States)

    Beauchamp, Guy

    2005-01-01

    A study to present specific hypothesis that satisfactorily explain the boiling point of a number of molecules, CH[subscript w]F[subscript x]Cl[subscript y]Br[subscript z] having similar structure, and then analyze the model with the help of multiple linear regression (MLR), a data analysis tool. The MLR analysis was useful in selecting the…

  16. Charge transfer and relativistic effects in the low-lying electronic states of CuCl, CuBr and CuI

    NARCIS (Netherlands)

    Sousa, C; DeJong, WA; Broer, R; Nieuwpoort, WC; Jong, W.A. de

    1997-01-01

    The spectral transitions and the character of the low-lying excited states of the copper halides, CuX (X = Cl, Br, I) are studied by means of two different relativistic computational approaches. One is based on the CASSCF/CASPT2 approach with operators accounting for scalar relativistic effects eval

  17. Electronic structure and magnetic ordering of the semiconducting chromium trihalides CrCl3, CrBr3, and CrI3

    KAUST Repository

    Wang, Hao

    2011-03-01

    We present results from an electronic structure investigation of the chromium halides CrCl3, CrBr3, and CrI3, as obtained by the linearized augmented plane wave method of density functional theory. Our interest focuses on the chloride. While all three halides display strong ferromagnetic coupling within the halide-Cr-halide triple layers, our emphasis is on differences in the interlayer magnetic coupling. In agreement with experimental results, our calculations indicate ferromagnetic ordering for CrBr3 as well as CrI3. The antiferromagnetic state of CrCl3 can be reproduced by introducing an on-site electron-electron repulsion. However, we observe that the ground state depends critically on the specific approach used. Our results show that a low temperature structural phase transition from monoclinic to trigonal is energetically favourable for CrCl3. © 2011 IOP Publishing Ltd.

  18. Theoretical insight into the interaction between SnX2 (X = H, F, Cl, Br, I) and benzene.

    Science.gov (United States)

    Matczak, Piotr

    2016-09-01

    For a series of five model complexes composed of a singlet SnX2 molecule (X = H, F, Cl, Br, I) and a benzene molecule, the first-principles calculations of their energetics and the analysis of their electron density topology have been performed. The CCSD(T)/CBS interaction energy between SnX2 and C6H6 fall into the range between -10.0 and -11.2 kcal/mol, which indicates that the complexes are rather weakly bound. The relevant role of electrostatic and dispersion contributions to the interaction energy between SnX2 and C6H6 is highlighted in the results obtained from the symmetry-adapted perturbation theory (SAPT). The electron density topological analysis has been carried out using the quantum theory of atoms in molecules (QTAIM) and the noncovalent interactions (NCI) visualization index. Both QTAIM and NCI prove the closed-shell, noncovalent and attractive character of the interaction. A very small charge transfer from C6H6 to SnX2 has been detected. The formation of the five complexes is accompanied by the electron density deformations that are spatially restricted mostly to the region around the Sn atom and its adjacent C atom. The results presented in this work shed some light on the nature of the interactions associated with crystalline structural motifs involving low-valent tin complexed with neutral aryl rings. PMID:27525639

  19. 2-Chlorovinyl tellurium dihalides, (p-tol)Te[C(H)=C(Cl)Ph]X{sub 2} for X = Cl, Br and I: variable coordination environments, supramolecular structures and docking studies in cathepsin B

    Energy Technology Data Exchange (ETDEWEB)

    Caracelli, Ignez, E-mail: ignez@ufscar.b [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Dept. de Fisica; Zukerman-Schpector, Julio; Maganhi, Stella H., E-mail: julio@power.ufscar.b [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Dept. de Quimica. Lab. de Cristalografia, Estereodinamica e Modelagem Molecular; Stefani, Helio A. [Universidade de Sao Paulo (USP), SP (Brazil). Faculdade de Ciencias Farmaceuticas. Dept. de Farmacia; Guadagnin, Rafael [Universidade Federal de Sao Paulo (Unifesp/EPM), Sao Paulo, SP (Brazil). Dept. de Quimica; Tiekink, Edward R.T., E-mail: edward.tiekink@gmail.co [University of Malaya, Kuala Lumpur (Malaysia). Dept. of Chemistry

    2010-07-01

    Crystallography shows that the Te atom in each of (p-tol)Te[C(H)=C(Cl)Ph]X{sub 2}, for X = Cl (1), Br (2) and I (3), is within a distorted {Psi}-pentagonal bipyramidal geometry. An E configuration for the vinyl group in (1) precludes the formation of an intramolecular Te...Cl interaction so that an intramolecular Te{pi} interaction is found instead. The coordination environment features a linear Cl-Te-Cl arrangement with the pentagonal plane defined by the two C atoms of the organic substituents, an intermolecular TeCl contact, a Te{pi} interaction and a stereochemically active lone pair of electrons. In the X = Br (2) and I (3) structures, similar coordination geometries are found but the Te{pi} contact is replaced by an intramolecular TeCl contact owing to the adoption of a Z configuration about the vinyl bond. The differences in structure are readily explained in terms of electronic effects. Docking studies of cathepsin B with (1')-(3'), i.e. 1-3 less one Te-bound halide, show efficient binding through the agency of covalent Te-S{sub Cys29} bonds with stabilization afforded by a combination of N-H{pi}, C-H{pi} and Cl{sub vinyl} H interactions. These results comparable favorably with known inhibitors of cathepsin B suggesting the title compounds have potential biological activity. (author)

  20. New low-dimensional molecular conductors: α''-(BEDO-TTF)2Cl.3H2O and θ-(BDH-TTP)2(Br0.67Cl0.33).3H2O

    Science.gov (United States)

    Zorina, L. V.; Simonov, S. V.; Khasanov, S. S.; Shibaeva, R. P.

    2011-10-01

    X-ray single-crystal diffraction studies of two new molecular conductors α''-(BEDO-TTF)2Cl.3H2O and θ-(BDH-TTP)2(Br0.67Cl0.33).3H2O are reported. Both crystals have a layered structure in which conducting layers of organic BEDO-TTF or BDH-TTP π-electron donors are separated by complex anion layers. The anion layers consist of honeycomb networks of Cl- (Br-) halogen anions and water molecules, which are stable owing to the formation of hydrogen bonds. Calculations of the electron band structure of these crystals show that metallic conductivity is to be expected in the organic α''-(BEDO-TTF) and θ-(BDH-TTP) layers.

  1. The role of reduction extent of graphene oxide in the photocatalytic performance of Ag/AgX (X = Cl, Br)/rGO composites and the pseudo-second-order kinetics reaction nature of the Ag/AgBr system.

    Science.gov (United States)

    Gao, Weiyin; Ran, Chenxin; Wang, Minqiang; Li, Le; Sun, Zhongwang; Yao, Xi

    2016-07-21

    Although reduced graphene oxide (rGO)-based photocatalyst composites have been intensively developed during the past few years, the influence of reduction extent of rGO on the photocatalytic performance of the rGO-based composite has virtually not been investigated due to some technical limitations, such as the poor water dispersibility of rGO and low reduction selectivity of the hydrothermal method, which make it difficult to control the reduction extent of rGO in these composites. Herein, we used a facile room-temperature method to synthesize Ag/AgX (X = Cl, Br)/rGO photocatalyst composites as a model to study the effect of reduction extent of rGO on the photocatalytic performance of the photocatalyst. It was found that the photocatalytic activities of both Ag/AgCl/PrGO and Ag/AgBr/PrGO systems had an optimized threshold of the reduction extent of photoreduced GO (PrGO). More importantly, due to the different conductive band values of AgCl and AgBr, the optimized thresholds in the two systems were at different PrGO reduction extents, based on which we proposed that the favorable energy band matching between AgX and PrGO in the two systems played a crucial role in obtaining high photocatalysis performance. Besides, the photocatalytic reaction of the Ag/AgBr based system was confirmed to be a pseudo-second-order kinetics reaction rather than pseudo-first-order kinetics reaction. The new insights presented in this work provided useful information on the design and development of a more sophisticated photocatalyst, and can also be applied to many other applications. PMID:27332751

  2. Kinetic smog-chamber studies on halogen activation from a simulated salt pan, using dry and wet NaCl/NaBr surfaces

    Science.gov (United States)

    Bleicher, Sergej; Balzer, Natalja; Zetzsch, Cornelius; Buxmann, Joelle; Platt, Ulrich

    2010-05-01

    Field experiments and laboratory studies have shown that atomic Br and Cl are released from sea-salt aerosol and saline soils. This halogen release is based on the uptake of gaseous HOX by aqueous, acidified salt surfaces. Br and Cl play an important role in atmospheric ozone depletion and the destruction of hydrocarbons. Furthermore, Secondary Organic Aerosol (SOA) and HUmic LIke Substances (HULIS) may take part in these reaction cycles by halogenation and production of volatile organic halogen compounds. Aerosol smog-chamber facilities (coolable to -25°C) enable us to simulate the halogen release mechanism under arctic tropospheric conditions. Mechanistic and kinetic studies are carried out to investigate the influence of SOA and HULIS on halogen cycles and to determine halogenated gaseous and solid organic products. The present laboratory measurements study halogen activation from salt surfaces, which are similar to typical salt pan environments. In these experiments we placed different artificial salt mixtures with NaCl/NaBr ratios up to 300:1 on a Teflon pan located in a Teflon chamber with a volume of 3.5 m3. Under clean air conditions we inject ozone and a mixture of non-methane hydrocarbons with well-known reactivities against OH and Cl and irradiated the chamber with a solar simulator. Beside the usual observing instruments like an ozone monitor and a gas chromatograph we used Differential Optical Absorption Spectroscopy (DOAS) in a White cell with a light path up to 320 m to observe various gas-phase species including BrO radicals. A dry air / dry salt pan environment showed no ozone depletion and no halogen activation. At relative humidity above 50%, a rapid ozone depletion (4.7 h half-life) was observed, which is much faster than for pure NaCl under the same conditions (77 h). Furthermore, the mixed salt was acidified with H2SO4 to a pH value of 4.3, no difference in ozone depletion and halogen activation was observed at this point. The DOAS

  3. Entrance Channel X-HF (X=Cl, Br, and I) Complexes studied by High-Resolution Infrared Laser Spectroscopy in Helium Nanodroplets

    CERN Document Server

    Merritt, J M; Miller, R E; Merritt, Jeremy M.; K\\"upper, Jochen; Miller, Roger E.

    2005-01-01

    Rotationally resolved infrared spectra are reported for halogen atom - HF free radical complexes formed in helium nanodroplets. An effusive pyrolysis source is used to dope helium droplets with Cl, Br and I atoms, formed by thermal dissociation of Cl$_2$, Br$_2$ and I$_2$. A single hydrogen fluoride molecule is then added to the droplets, resulting in the formation of the X-HF complexes of interest. Analysis of the resulting spectra confirms that the observed species have $^2\\Pi_{3/2}$ ground electronic states, consistent with the linear hydrogen bound structures predicted from theory. Stark spectra are also reported for these species, from which the permanent electric dipole moments are determined.

  4. Comprehensive theoretical studies on the low-lying electronic states of NiF, NiCl, NiBr, and NiI.

    Science.gov (United States)

    Zou, Wenli; Liu, Wenjian

    2006-04-21

    The low-lying electronic states of the nickel monohalides, i.e., NiF, NiCl, NiBr, and NiI, are investigated by using multireference second-order perturbation theory with relativistic effects taken into account. For the energetically lowest 11 lambda-S states and 26 omega states there into, the potential energy curves and corresponding spectroscopic constants (vertical and adiabatic excitation energies, equilibrium bond lengths, vibrational frequencies, and rotational constants) are reported. The calculated results are grossly in very good agreement with those solid experimental data. In particular, the ground state of NiI is shown to be different from those of NiF, NiCl, and NiBr, being in line with the recent experimental observation. Detailed analyses are provided on those states that either have not been assigned or have been incorrectly assigned by previous experiments.

  5. Recognition of a novel type X═N-Hal···Hal (X = C, S, P; Hal = F, Cl, Br, I) halogen bonding.

    Science.gov (United States)

    Gushchin, Pavel V; Kuznetsov, Maxim L; Haukka, Matti; Kukushkin, Vadim Yu

    2013-04-01

    The chlorination of the eight-membered platinum(II) chelates [PtCl2{NH═C(NR2)N(Ph)C(═NH)N(Ph)C(NR2)═NH}] (R = Me (1); R2 = (CH2)5 (2)) with uncomplexed imino group with Cl2 gives complexes bearing the ═N-Cl moiety [PtCl4{NH═C(NR2)N(Ph)C(═NCl)N(Ph)C(NR2)═NH}] (R = Me (3); R2 = (CH2)5 (4)). X-ray study for 3 revealed a novel type intermolecular halogen bonding ═N-Cl···Cl(-), formed between the Cl atom of the chlorinated imine and the chloride bound to the platinum(IV) center. The processing relevant structural data retrieved from the Cambridge Structural Database (CSDB) shows that this type of halogen bonding is realized in 18 more molecular species having X═N-Hal moieties (X = C, P, S, V, W; Hal = Cl, Br, I), but this weak ═N-Hal···Hal(-) bonding was totally neglected in the previous works. The presence of the halogen bonding in 3 was confirmed by theoretical calculations at the density functional theory (DFT, M06-2X) level, and its nature was analyzed. PMID:23469756

  6. Molecular beam studies of unimolecular reactions: Cl, F + C/sub 2/H/sub 3/Br. [Angular and velocity distributions, mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Buss, R.J.; Coggiola, M.J.; Lee, Y.T.

    1978-12-01

    Several methods currently used to study unimolecular decomposition in molecular beams are discussed. Experimental product angular and velocity distributions obtained for the reaction of F, Cl with C/sub 2/H/sub 3/Br are presented. The mechanism by which conservation of angular momemtum can cause coupling of the product angular and velocity distributions in dissociation of long-lived complexes is introduced. 14 references.

  7. Coupled evolution of BrOx-ClOx-HOx-NOx chemistry during bromine-catalyzed ozone depletion events in the arctic boundary layer

    OpenAIRE

    M. J. Evans; Jacob, Daniel James; Atlas, E.; Cantrell, C; Eisele, F.; Flocke, F.; Fried, A.; Mauldin, R; Ridley, B.; Wert, B; Talbot, R.; Blake, D.; B. Heikes; Snow, J.; Walega, J

    2003-01-01

    Extensive chemical characterization of ozone (O3) depletion events in the Arctic boundary layer during the TOPSE aircraft mission in March–May 2000 enables analysis of the coupled chemical evolution of bromine (BrOx), chlorine (ClOx), hydrogen oxide (HOx) and nitrogen oxide (NOx) radicals during these events. We project the TOPSE observations onto an O3 chemical coordinate to construct a chronology of radical chemistry during O3 depletion events, and we compare this chronology to results from...

  8. Effect of the calcium halides, CaCl{sub 2} and CaBr{sub 2}, on hydrogen desorption in the Li–Mg–N–H system

    Energy Technology Data Exchange (ETDEWEB)

    Bill, Rachel F. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Reed, Daniel; Book, David [School of Metallurgy and Materials, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Anderson, Paul A., E-mail: p.a.anderson@bham.ac.uk [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom)

    2015-10-05

    Highlights: • H{sub 2} desorption from 2LiNH{sub 2}–MgH{sub 2}–xCaX{sub 2} (x = 0, 0.1, 0.15; X = Cl, Br) samples studied. • Addition of calcium halides reduced the desorption temperature in all samples. • Peak H{sub 2} release was around 150 °C lower in ball-milled than in hand-ground samples. • The 2LiNH{sub 2}–MgH{sub 2}–0.15CaBr{sub 2} sample showed the lowest peak desorption temperature. • CaBr{sub 2} reduced the activation energy to 78.8 kJ mol{sup −1}, 24% less than the undoped sample. - Abstract: Calcium-halide-doped lithium amide–magnesium hydride samples were prepared both by hand-grinding and ball-milling 2LiNH{sub 2}–MgH{sub 2}–xCaX{sub 2} (x = 0, 0.1, and 0.15; X = Cl or Br). The addition of calcium halides reduced the hydrogen desorption temperature in all samples. The ball-milled undoped sample (2LiNH{sub 2}–MgH{sub 2}) began to desorb hydrogen at around 125 °C and peaked at 170 °C. Hydrogen desorption from the 0.15 mol CaCl{sub 2}-containing sample began ca 30 °C lower than that of the undoped sample and peaked at 150 °C. Both the onset and peak temperatures of the CaBr{sub 2} sample (x = 0.15) were reduced by 15 °C compared to the chloride. Kissinger’s method was used to calculate the effective activation energy (E{sub a}) for the systems: E{sub a} for the 0.15 mol CaCl{sub 2}-containing sample was found to be 91.8 kJ mol{sup −1} and the value for the 0.15 mol CaBr{sub 2}-containing sample was 78.8 kJ mol{sup −1}.

  9. Composition Analysis of Glasses in the PbBr2-PbCl2-PbF2-PbO-P2O5 System%PbBr2-PbCl2-PbF2-PbO-P2O5系统玻璃成分分析*

    Institute of Scientific and Technical Information of China (English)

    朱冬梅; 周万城; 赵宏生

    2001-01-01

    研究了PbBr2-PbCl2-PbF2-PbO-P2O5系统的玻璃在熔融过程中的变化.发现在玻璃的熔制过程中,元素P、Pb和Br的损失量最大.化学分析和理论计算表明,这些元素是以PbC12、PbBr2和P2O5的形式挥发的.而且,随着配料成分中含量的增加,PbCl2、PbBr2和P2O5的挥发量也随之增加.

  10. Potential groundwater age tracer found: Halon-1301 (CF3Br), as previously identified as CFC-13 (CF3Cl)

    Science.gov (United States)

    Beyer, Monique; van der Raaij, Rob; Morgenstern, Uwe; Jackson, Bethanna

    2014-09-01

    Groundwater dating using anthropogenic and natural tracer substances is a powerful tool for understanding groundwater dynamics for improved management of groundwater resources. Due to limitations in individual dating methods, often multiple tracers are used to reduce ambiguities. It is commonly accepted that there is a need for further complementary age tracers, in addition to current ones (e.g., tritium, SF6, and CFCs). We propose a potential new groundwater age tracer, Halon-1301 (CF3Br), which can easily be determined using gas chromatography with an attached electron capture detector (GC/ECD) developed by Busenberg and Plummer (2008). Its peak was noted by Busenberg and Plummer (2008), but they believed it to be CFC-13 (CF3Cl) at that time. We performed rigorous tests on gases containing or excluding Halon-1301 and CFC-13 and modern water samples and concluded that the two compounds have extremely similar retention times. Additionally, we found that the ECD response of CFC-13 is far too low to be detected in groundwater or air using standard volumes and sampling techniques. However, the peak areas and concentrations Busenberg and Plummer (2008) reported are in line with what would be expected for Halon-1301. Thus, we are confident that the peak formerly identified as CFC-13 is actually Halon-1301. Busenberg agrees with our findings. We further suggest that Halon-1301 has potential as a (complementary) age tracer, due to its established atmospheric history, and could hypothetically be used to date groundwater recharged in the 1970s or onward. We discuss known relevant properties, such as solubility and stability of Halon-1301 in the context of how these effect its potential application as a groundwater age tracer. Some open questions remain concerning how conservative Halon-1301 is—is it subject to degradation, retardation, and/or local contamination in groundwater. We are confident that Halon-1301 possesses important tracer relevant properties, but further

  11. Broad Wavelength Tunable Robust Lasing from Single-Crystal Nanowires of Cesium Lead Halide Perovskites (CsPbX3, X = Cl, Br, I).

    Science.gov (United States)

    Fu, Yongping; Zhu, Haiming; Stoumpos, Constantinos C; Ding, Qi; Wang, Jue; Kanatzidis, Mercouri G; Zhu, Xiaoyang; Jin, Song

    2016-08-23

    Lead halide perovskite nanowires (NWs) are emerging as a class of inexpensive semiconductors with broad bandgap tunability for optoelectronics, such as tunable NW lasers. Despite exciting progress, the current organic-inorganic hybrid perovskite NW lasers suffer from limited tunable wavelength range and poor material stability. Herein, we report facile solution growth of single-crystal NWs of inorganic perovskite CsPbX3 (X = Br, Cl) and their alloys [CsPb(Br,Cl)3] and a low-temperature vapor-phase halide exchange method to convert CsPbBr3 NWs into perovskite phase CsPb(Br,I)3 alloys and metastable CsPbI3 with well-preserved perovskite crystal lattice and NW morphology. These single crystalline NWs with smooth end facets and subwavelength dimensions are ideal Fabry-Perot cavities for NW lasers. Optically pumped tunable lasing across the entire visible spectrum (420-710 nm) is demonstrated at room temperature from these NWs with low lasing thresholds and high-quality factors. Such highly efficient lasing similar to what can be achieved with organic-inorganic hybrid perovskites indicates that organic cation is not essential for light emission application from these lead halide perovskite materials. Furthermore, the CsPbBr3 NW lasers show stable lasing emission with no measurable degradation after at least 8 h or 7.2 × 10(9) laser shots under continuous illumination, which are substantially more robust than their organic-inorganic counterparts. The Cs-based perovskites offer a stable material platform for tunable NW lasers and other nanoscale optoelectronic devices. PMID:27437566

  12. Theoretical Study of Electronic Properties of X-Doped (X = F, Cl, Br, I) VO2 Nanoparticles for Thermochromic Energy-Saving Foils.

    Science.gov (United States)

    Ren, Qinghua; Wan, Jinyu; Gao, Yanfeng

    2014-11-20

    First-principles density functional theory (DFT) electronic structure calculations were carried out for the model halogen-doped VO2 (M1 phase) to evaluate the effect of halogen (X = F, Cl, Br, I) doping on the band edges. The model structures of X-doped VO2 with X at V site or O site were constructed on the basis of 96-atom 2 × 2 × 2 supercell of monoclinic M1 phase of VO2. Our results showed that the band gap Eg2 for Cl-doped VO2 at O1 site (0.51 eV) is smaller than that of F-doped VO2 at O1 site (0.61 eV) and that of pure VO2 (0.78 eV). We also investigated the substitution of chlorine, bromine, and iodine for vanadium in VO2, where the band gaps Eg2 are 0.40, 0.45, and 0.37 eV for Cl-, Br-, and I-doped VO2 at V site, respectively. The Cl-doped VO2 at V site is the best one for achieving good VO2 thermochromic energy-saving foils. PMID:25353175

  13. Influence of irrigation practices on arsenic mobilization: Evidence from isotope composition and Cl/Br ratios in groundwater from Datong Basin, northern China

    Science.gov (United States)

    Xie, Xianjun; Wang, Yanxin; Su, Chunli; Li, Junxia; Li, Mengdi

    2012-03-01

    SummaryEnvironment isotopes (δ18O and δ2H) and Cl/Br ratios in groundwater have been used to trace groundwater recharge and geochemical processes for arsenic contamination in Datong Basin. The arsenic concentrations of groundwater samples ranged from 0.4 to 434.9 μg/L with the average of 51.2 μg/L, which exceeded China's drinking water standard (10 μg/L). All the groundwater samples are plotted on or close to the meteoric water line of the δ18O vs. δ2H plot, indicating their meteoric origin. The relationship between δ18O values and Cl/Br ratios and Cl concentrations demonstrate that leaching and mixing are the dominant processes affecting the distribution of high arsenic groundwater in this area. The observed non-linearity in the trend between δ18O and arsenic concentration is due to combined effects of mixing and leaching. The similarity of the trend in Cl/Br ratios and δ18O values for high arsenic groundwater demonstrate that extensive leaching of irrigation return and salt flushing water flow could be the dominant process driving arsenic mobilization in the groundwater system. Moreover, the long term irrigation practice can cause the drastic change of the biogeochemical and redox condition of in the aquifer system, which in turn promotes the mobilization of arsenic. Therefore, groundwater pumping for irrigation in this area of waterborne endemic arsenic poisoning should be under strict control to protect groundwater quality in this area.

  14. PROPERTY OF GLASSES IN THE PbBr2-PbCl2-PbF2-PbO-P2O5 SYSTEM%PbBr2-PbCl2-PbF2-PbO-P2O5系统玻璃性能研究

    Institute of Scientific and Technical Information of China (English)

    朱冬梅; 周万城; 赵宏生

    1999-01-01

    研究了PbBr2-PbCl2-PbF2-PbO-P2O5系统的玻璃转变温度、密度、耐水性和透光率.PbBr2-PbCl2-P2O5系统的玻璃转变温度低达146 ℃,密度高达4.75 g/cm3.加入PbF2和/或PbO可显著提高玻璃的转变温度和密度,其中PbO的影响更为显著,可使玻璃的密度增加到5.48 g/cm3.多数PbBr2-PbCl2-PbF2-PbO-P2O5系统玻璃的耐水性都很好,在水中的溶解速率为10-5 mm/day.玻璃的透光性较好,加入PbBr2使玻璃的紫外截断波长明显向长波方向移动.

  15. 四元体系NaCl-NaBr-Na2SO4-H2O348K相平衡研究%Study on Phase Equilibria for Quaternary System of NaCl-NaBr-Na2SO4-H2O at 348 K

    Institute of Scientific and Technical Information of China (English)

    张勇刚; 桑世华; 张凯杰; 胡富铭; 崔瑞芝

    2013-01-01

    The phase equilibria of the quaternary system of NaCl - NaBr - Na2SO4 - H2O at 348 K are investigated, and the solubility and density of the solution are determined by isothermal e-quilibrium method. The experimental results indicate that the quaternary system is the system with solid in the solution. Based on the experimental data, the phase diagram of the quaternary system is plotted, which consists of a univariant dissolution curve and two crystallization fields: Na ( ClBr) and Na2SO4. The experimental results show that the sodium bromide has the salting - out effect on sodium chloride. Meanwhile, the rule of density is discussed briefly.%采用等温溶解平衡法研究了348 K下四元体系NaCl-NaBr-Na2 SO4-H2O的相平衡规律,测定了平衡液相的溶解度和密度.研究发现,四元体系NaCl-NaBr-Na2SO4-H2O是含有固体溶液的体系.根据实验研究数据绘制了等温溶解度图,相图中只有一条单变量溶解曲线,两个结晶相区,平衡固相分别为Na(Cl、Br)和Na2SO4.实验结果表明,NaBr对NaCl具有盐析效应,并简要讨论了密度变化规律.

  16. Room-temperature scintillation properties of cerium-doped REOX (RE=Y, La, Gd, and Lu; X=F, Cl, Br, and I)

    Energy Technology Data Exchange (ETDEWEB)

    Eagleman, Yetta; Bourret-Courchesne, Edith; Derenzo, Stephen

    2010-12-10

    The scintillation properties of cerium-doped oxyhalides following the general formula REOX (RE=Y, La, Gd, and Lu; X=F, Cl, Br, and I) are reported. These materials were synthesized under dry conditions as microcrystalline powders from conventional solid state reactions. The room temperature X-ray excited emission and scintillation decay curves were measured and analyzed for each material. Additionally, the hygroscopic nature of the oxychlorides and oxybromides was compared to that of their corresponding rare earth halides. The yttrium, lanthanum, and gadolinium oxychlorides, and all of the oxybromides and oxyiodides are found to be activated by Ce{sup 3+}. GdOBr doped with 0.5% Ce{sup 3+} has the highest light output with a relative luminosity of about one-half that of LaBr{sub 3}: Ce{sup 3+}. It displays a single exponential decay of 30 ns.

  17. PbBr2-PbCl2-PbF2-PbO-P2O5系统玻璃的热性质和化学稳定性%Thermal Properties and Water Durability of Glasses in the PbBr2-PbCl2-PbF2-PbO-P2O5 System

    Institute of Scientific and Technical Information of China (English)

    朱冬梅; 周万城; 赵宏生; 吴静波

    2000-01-01

    重点研究了PbBr2-PbCl2-PbF2-PbO-P2O5系统玻璃的热性质、耐水性和抗潮解性. 结果表明:该系统玻璃的热膨胀系数较大,一般在25×10-6°C-1左右. PbBr2-PbCl2-P2O5系统的玻璃具有较低的玻璃转变温度,可低达146°C. 加入PbF2和/或PbO可显著提高玻璃的转变温度和密度,其中PbO对试样的影响更为显著. PbBr2-PbCl2-PbF2-PbO-P2O5系统玻璃的抗潮解性一般较好. 多数玻璃在水中的溶解速率可达10-5mm/day, 具有较好的耐水性.%A series of new glasses in the PbBr2-PbCl2-PbF2-PbO-P2O5 system were prepared and some properties of the glasses in the PbBr2-PbCl2-PbF2-PbO-P2O5 system were studied. Their composition dependence of glass transition temperature(T g), thermal expansion coefficient and water durability was reported. Glasses in the PbBr2-PbCl2-P2O5 ternary system have relative low glass transition temperature(>146C). When PbO and/or PbF2 are introduced into the ternary system, the glass transition temperature increases considerably. Glasses containing PbO have higher transition temperature than those containing PbF2. The glasses in this system have relative high thermal expansion coefficient(25×10-6/C). Most of the glasses exhibit good water durability, and the dissolution rate in deionised water at 25C is in the order of 10-4~10-5mm/day. The introduction of PbO and/or PbF2 into the glasses does not change their water durability much. With the increase of P2O5, the water durability of the glass becomes bad obviously.

  18. Synthetic cannabinoid JWH-018 and its halogenated derivatives JWH-018-Cl and JWH-018-Br impair Novel Object Recognition in mice: Behavioral, electrophysiological and neurochemical evidence.

    Science.gov (United States)

    Barbieri, M; Ossato, A; Canazza, I; Trapella, C; Borelli, A C; Beggiato, S; Rimondo, C; Serpelloni, G; Ferraro, L; Marti, M

    2016-10-01

    It is well known that an impairment of learning and memory function is one of the major physiological effects caused by natural or synthetic cannabinoid consumption in rodents, nonhuman primates and in humans. JWH-018 and its halogenated derivatives (JWH-018-Cl and JWH-018-Br) are synthetic CB1/CB2 cannabinoid agonists, illegally marketed as "Spice" and "herbal blend" for their Cannabis-like psychoactive effects. In the present study the effects of acute exposure to JWH-018, JWH-018-Cl, JWH-018-Br (JWH-018-R compounds) and Δ(9)-THC (for comparison) on Novel Object Recognition test (NOR) has been investigated in mice. Moreover, to better characterize the effects of JWH-018-R compounds on memory function, in vitro electrophysiological and neurochemical studies in hippocampal preparations have been performed. JWH-018, JWH-018-Cl and JWH-018-Br dose-dependently impaired both short- and long-memory retention in mice (respectively 2 and 24 h after training session). Their effects resulted more potent respect to that evoked by Δ(9)-THC. Moreover, in vitro studies showed as JWH-018-R compounds negatively affected electrically evoked synaptic transmission, LTP and aminoacid (glutamate and GABA) release in hippocampal slices. Behavioral, electrophysiological and neurochemical effects were fully prevented by CB1 receptor antagonist AM251 pretreatment, suggesting a CB1 receptor involvement. These data support the hypothesis that synthetic JWH-018-R compounds, as Δ(9)-THC, impair cognitive function in mice by interfering with hippocampal synaptic transmission and memory mechanisms. This data outline the danger that the use and/or abuse of these synthetic cannabinoids may represent for the cognitive process in human consumer. PMID:27346209

  19. Structural, Electronic, and Optical Properties of BiOX1-xYx (X, Y = F, Cl, Br, and I) Solid Solutions from DFT Calculations.

    Science.gov (United States)

    Zhao, Zong-Yan; Liu, Qing-Lu; Dai, Wen-Wu

    2016-01-01

    Six BiOX1-xYx (X, Y = F, Cl, Br, and I) solid solutions have been systematically investigated by density functional theory calculations. BiOCl1-xBrx, BiOBr1-xIx, and BiOCl1-xIx solid solutions have very small bowing parameters; as such, some of their properties increase almost linearly with increasing x. For BiOF1-xYx solid solutions, the bowing parameters are very large and it is extremely difficult to fit the related calculated data by a single equation. Consequently, BiOX1-xYx (X, Y = Cl, Br, and I) solid solutions are highly miscible, while BiOF1-xYx (Y = Cl, Br, and I) solid solutions are partially miscible. In other words, BiOF1-xYx solid solutions have miscibility gaps or high miscibility temperature, resulting in phase separation and F/Y inhomogeneity. Comparison and analysis of the calculated results and the related physical-chemical properties with different halogen compositions indicates that the parameters of BiOX1-xYx solid solutions are determined by the differences of the physical-chemical properties of the two halogen compositions. In this way, the large deviation of some BiOX1-xYx solid solutions from Vegard's law observed in experiments can be explained. Moreover, the composition ratio of BiOX1-xYx solid solutions can be measured or monitored using optical measurements.

  20. Electronic structure, optical properties and bonding in alkaline earth halo-fluoride scintillators: BaClF, BaBrF and BaIF

    Energy Technology Data Exchange (ETDEWEB)

    Yedukondalu, N. [University of Hyderabad; Babu, K. Ramesh [University of Hyderabad; Bheemalingam, Ch. [University of Hyderabad; Singh, David J [ORNL; Vaitheeswaran, G. [University of Hyderabad; Kanchana, V. [IIT Hyderabad

    2011-01-01

    We report first-principles studies of the structural, electronic, and optical properties of the alkaline-earth halofluorides, BaXF (X = Cl, Br, and I), including pressure dependence of structural properties. The band structures show clear separation of the halogen p derived valence bands into higher binding energy F and lower binding energy X derived manifolds reflecting the very high electronegativity of F relative to the other halogens. Implications of this for bonding and other properties are discussed. We find an anisotropic behavior of the structural parameters especially of BaIF under pressure. The optical properties on the other hand are almost isotropic, in spite of the anisotropic crystal structures.

  1. Ab initio design of CsSn(XxY 1−x)3 (X and Y = Cl, Br, and I) perovskites for photovoltaics

    OpenAIRE

    Arpan Krishna Deb; Vijay Kumar

    2015-01-01

    Ab initio calculations on CsSnX3 perovskites and mixed halides CsSn(XxY 1−x)3, X and Y = I, Cl, and Br, show that all of them have a direct band gap of ∼1 eV which can be tuned by varying the compositions of X and Y. The optimized supercells are tetragonal, orthorhombic or monoclinic. The top of the valence band arises from hybridization of Sn 4s and halogen p valence orbitals while the bottom of the conduction band has predominantly Sn p character. Similar to organo-metallic lead halides thi...

  2. A tentative model for estimating the compressibility of rock-salt AgCl$_{x}$ Br$_{1−x}$ alloys

    Indian Academy of Sciences (India)

    Vassiliki Katsika-Tsigourakou; Efthimios S Skordas

    2013-02-01

    Ab initio detailed calculations of the elastic properties of AgCl Br1− alloys were recently made using density-functional perturbation theory and by employing the virtual crystal approximation or by means of the full potential linearized augmented plane wave method. Here, we suggest a simple theoretical model that enables estimation of isothermal compressibility of these alloys in terms of the elastic data of end-members alone. The calculated values are in satisfactory agreement with the experimental ones. The present model makes use of an early suggestion that interconnects Gibbs energy for the formation and/or migration of defects in solids with bulk properties.

  3. UV-VIS absorption spectra of molten AgCl and AgBr and of their mixtures with group I and II halide salts

    Energy Technology Data Exchange (ETDEWEB)

    Greening, Giorgio G.W. [Technische Universitaet Darmstadt (Germany). Eduard-Zintl-Institut fuer Anorganische und Physikalische Chemie

    2015-07-01

    The UV-VIS absorption spectra of (Ag{sub 1-X}[Li-Cs, Ba]{sub X})Cl and of (Ag{sub 1-X}[Na, K, Cs]{sub X})Br at 823 K at the concentrations X=0.0, 0.1, 0.2 have been measured. The findings show that on adding the respective halides to molten silver chloride and silver bromide, shifts of the fundamental absorption edge to shorter wavelengths result. A correlation between the observed shifts and the expansion of the silver sub-lattice is found, which is valid for both silver halide systems studied in this work.

  4. Crystal electric field and dimer splitting in Cs{sub 3}Er{sub 2}X{sub 9} (X=Cl, Br)

    Energy Technology Data Exchange (ETDEWEB)

    Allenspach, P.; Furrer, A. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Guedel, H.U.; Furer, N. [Bern Univ. (Switzerland); Buettner, H. [Institut Max von Laue - Paul Langevin, 75 - Paris (France)

    1997-09-01

    Inelastic neutron scattering technique was used to measure the crystal electric field (CEF) splitting of Cs{sub 3}Er{sub 2}Cl{sub 9}. Besides a low lying magnetic excitation at around 2 meV all the other transitions are in agreement with CEF transitions found in optical measurements. Similar additional low-lying magnetic transitions were found in Cs{sub 3}Er{sub 2}Br{sub 9}. While excitations of the rare-earth dimers most likely play a role, the size of the splitting and its absence in optical spectra still remain a mystery. (author) 2 figs., 5 refs.

  5. Zero-field splitting and local structure for V2+ ions in CsMgX$_{3} (X=Cl, Br, I)$ crystals

    Indian Academy of Sciences (India)

    Q Wei; Q M Xu; Z Y Yang; D Y Zhang; J G Zhang

    2009-11-01

    The zero-field splitting and local structure for V2+ ions in CsMgX3 $(X = Cl, Br, I)$ crystals are theoretically investigated using complete diagonalization method (CDM) for a $3d^{3}$ ion in trigonal symmetry. Spin–spin (SS) and spin–other-orbit (SOO) interactions are taken into account in addition to the general spin–orbit (SO) interaction. On this basis, using ligand ion displacement model, we find that the ligand ions move away from $C_{3}$-axis, and therefore the local angles in the $V^{2+}$ centres are larger than the angles in the hosts. The results show good agreement with the observed values.

  6. Theory of singlet-ground-state magnetism. Application to field-induced transitions in CsFeCl3 and CsFeBr3

    DEFF Research Database (Denmark)

    Lindgård, P.-A.; Schmid, B.

    1993-01-01

    In the singlet ground-state systems CsFeCl3 and CsFeBr3 a large single-ion anisotropy causes a singlet ground state and a doubly degenerate doublet as the first excited states of the Fe2+ ion. In addition the magneteic interaction is anisotropic being much larger along the z axis than perpendicular...... to it. Therefore, these quasi-one-dimensional magnetic model systems are ideal to demonstrate unique correlation effects. Within the framework of the correlation theory we derive the expressions for the excitation spectrum. When a magnetic field is applied parallel to the z axis both substances have...

  7. NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

    Energy Technology Data Exchange (ETDEWEB)

    Demissie, Taye B. [Centre for Theoretical and Computational Chemistry Department of Chemistry, UiT – The Arctic University of Norway, N-9037 Tromsø (Norway)

    2015-12-31

    This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

  8. Relevance of weak intermolecular forces on the supramolecular structure of free or DMSO solvated 5-(4-X-benzylidene)rhodanines (X = F, Cl, Br, I)

    Science.gov (United States)

    Casas, José S.; Castaño, M. Victoria; Couce, María D.; Sánchez, Agustín; Sordo, José; Torres, M. Dolores; Vázquez, Saulo A.; Vázquez-López, Ezequiel M.

    2016-09-01

    The rhodanines of the title (Xp-Rhod, X = F, Cl, Br, I) were synthesized and characterized in solid state and in solution. The crystal structures of the four compounds show different supramolecular organizations. In the F-, Cl- and Br-derivatives, a R22(8) (CSNH)2 ring forms via Nsbnd H⋯S hydrogen bonds between two neighbouring molecules to give dimers. The I-derivative is also dimeric, but exhibits R22(8) (CONH)2 rings. The two type of dimers are associated in a variety of structures through hydrogen bonding, π-stacking, Csbnd H⋯π interactions and halogen bonding. These interactions were analysed from a crystallographic point of view and their relative relevance was explored using DFT calculations. The effect produced on all these interactions by the incorporation of DMSO molecules to the lattice was analysed by comparing the crystal structures of Xp-Rhod compounds and those of corresponding Xp-RhodṡDMSO solvates.

  9. Structures, properties and nature of DMSO-XY (XY=ClF and BrF) complexes: redshift and blueshift of S=O stretch.

    Science.gov (United States)

    Li, Qing-Zhong; Xu, Wen-Rui; Li, Ran; Liu, Xiao-Feng; Li, Wen-Zuo; Cheng, Jian-Bo

    2012-11-01

    The DMSO-XY (XY=ClF and BrF) complexes have been investigated with quantum chemical calculations. In general, two minima complexes were found, one with an O···X halogen bond and the other one with a S···X halogen bond. The former is more stable than the latter. Additionally, one first order saddle point complex was also observed. The interaction energies in the S complexes suffer a prominent influence from the calculation methods. At the CCSD(T)/aug-cc-pVDZ level, the interaction energies are calculated to be -9.19 and -12.73 kcal/mol for the Cl and Br global minima, respectively. Both complexes have also been evidenced to be stable at room temperature. The SO stretch vibration exhibits a red shift at the global minimum but a blue shift at the local minimum, whereas the CSC and CH stretch vibrations move to high frequency in both cases. The energy decomposition analyses indicate that the electrostatic interaction plays a dominant role in stabilizing these halogen-bonded complexes. PMID:22858607

  10. Interacting spin-1/2 tetrahedral system Cu2Te2O5X2 (X = Cl, Br)

    DEFF Research Database (Denmark)

    Jensen, Jens

    2009-01-01

    Magnetic ordering and excitations of Cu2Te2O5Cl2 are analyzed in terms of a tetramerized spin model for the tetrahedral Cu clusters of spin 1/2. The mean-field model is able to account for the main properties of the incommensurable magnetic structure observed by Zaharko et al. [Phys. Rev. B 73, 0...

  11. Two-dimensional rectangular tantalum carbide halides TaCX (X = Cl, Br, I): novel large-gap quantum spin Hall insulators

    Science.gov (United States)

    Zhou, Liujiang; Shi, Wujun; Sun, Yan; Shao, Bin; Felser, Claudia; Yan, Binghai; Frauenheim, Thomas

    2016-09-01

    Quantum spin Hall (QSH) insulates exist in special two-dimensional (2D) semiconductors, possessing the quantized spin-Hall conductance that are topologically protected from backscattering. Based on the first-principles calculations, we predict a novel family of QSH insulators in 2D tantalum carbide halides TaCX (X = Cl, Br, and I) with unique rectangular lattice and large direct energy gaps. The mechanism for 2D QSH effect originates from an intrinsic d-d band inversion in the process of chemical bonding. Further, stain and intrinsic electric field can be used to tune the electronic structure and enhance the energy gap. TaCX nanoribbon, which has the single-Dirac-cone edge states crossing the bulk band gap, exhibits a linear dispersion with a high Fermi velocity comparable to that of graphene. These 2D materials with considerable nontrivial gaps promise great application potential in the new generation of dissipationless electronics and spintronics.

  12. Ab initio design of CsSn(XxY 1−x3 (X and Y = Cl, Br, and I perovskites for photovoltaics

    Directory of Open Access Journals (Sweden)

    Arpan Krishna Deb

    2015-07-01

    Full Text Available Ab initio calculations on CsSnX3 perovskites and mixed halides CsSn(XxY 1−x3, X and Y = I, Cl, and Br, show that all of them have a direct band gap of ∼1 eV which can be tuned by varying the compositions of X and Y. The optimized supercells are tetragonal, orthorhombic or monoclinic. The top of the valence band arises from hybridization of Sn 4s and halogen p valence orbitals while the bottom of the conduction band has predominantly Sn p character. Similar to organo-metallic lead halides this is expected to facilitate p-p optical transitions that are highly favourable for photoabsorption. Our results suggest that these inorganic perovskites have the desired features to achieve high efficiency of photo-response with appropriate combination of halogens.

  13. Using Halogens (Cl, Br, F, I) and Stable Isotopes of Water (δ18O, δ2H) to Trace Hydrological and Biogeochemical Processes in Prairie Wetlands

    Science.gov (United States)

    Levy, Z. F.; Lu, Z.; Mills, C. T.; Goldhaber, M. B.; Rosenberry, D. O.; Mushet, D.; Siegel, D. I.; Fiorentino, A. J., II; Gade, M.; Spradlin, J.

    2014-12-01

    Prairie pothole wetlands are ubiquitous features of the Great Plains of North America, and important habitat for amphibians and migratory birds. The salinity of proximal wetlands varies highly due to groundwater-glacial till interactions, which influence wetland biota and associated ecosystem functions. Here we use halogens and stable isotopes of water to fingerprint hydrological and biogeochemical controls on salt cycling in a prairie wetland complex. We surveyed surface, well, and pore waters from a groundwater recharge wetland (T8) and more saline closed (P1) and open (P8) basin discharge wetlands in the Cottonwood Lake Study Area (ND) in August/October 2013 and May 2014. Halogen concentrations varied over a broad range throughout the study area (Cl = 2.2 to 170 mg/L, Br = 13 to 2000 μg/L, F = biological mechanisms or weathering of shale from glacial till.

  14. Relaxed electric dipole moments of polar molecules interacting with a slow positron: H{sub 2}O and CH{sub 3}X (X=F, Cl, Br)

    Energy Technology Data Exchange (ETDEWEB)

    Assafrao, Denise; Mohallem, Jose R, E-mail: rachid@fisica.ufmg.b [Laboratorio de Atomos e Moleculas Especiais, Departamento de FIsica, ICEx, Universidade Federal de Minas Gerais, PO Box 702, 30123-970, Belo Horizonte, MG (Brazil)

    2010-08-14

    The variation in the electric dipole moments of H{sub 2}O, CH{sub 3}F, CH{sub 3}Cl and CH{sub 3}Br as their geometries relax due to interaction with a positron is evaluated. The results are in good agreement with a recently observed empirical dependence of the positron binding energy on molecular properties (Danielson et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 235203). For binding energies larger than 100 meV relaxation could alter significantly the analysis of the binding, but it is in the prospect of generating effective potentials for positron scattering by molecules that the effect can be more important.

  15. Photoelectron spectroscopy of aqueous solutions: Streaming potentials of NaX (X = Cl, Br, and I) solutions and electron binding energies of liquid water and X−

    International Nuclear Information System (INIS)

    The streaming potentials of liquid beams of aqueous NaCl, NaBr, and NaI solutions are measured using soft X-ray, He(I), and laser multiphoton ionization photoelectron spectroscopy. Gaseous molecules are ionized in the vicinity of liquid beams and the photoelectron energy shifts are measured as a function of the distance between the ionization point and the liquid beam. The streaming potentials change their polarity with concentration of electrolytes, from which the singular points of concentration eliminating the streaming potentials are determined. The streaming currents measured in air also vanish at these concentrations. The electron binding energies of liquid water and I−, Br−, and Cl− anions are revisited and determined more accurately than in previous studies

  16. Halogen Bonding or Hydrogen Bonding between 2,2,6,6-Tetramethyl-piperidine-noxyl Radical and Trihalomethanes CHX3 (X=Cl, Br, I)

    Institute of Scientific and Technical Information of China (English)

    Xiao-ran Zhao; Xue Pang; Xiao-qing Yan; Wei-jun Jin

    2013-01-01

    The halogen and hydrogen bonding complexes between 2,2,6,6-tetramethylpiperidine-noxyl and trihalomethanes (CHX3,X=Cl,Br,I) are simulated by computational quantum chemistry.The molecular electrostatic potentials,geometrical parameters and interaction energy of halogen and hydrogen bonding complexes combined with natural bond orbital analysis are obtained.The results indicate that both halogen and hydrogen bonding interactions obey the order Cl<Br<I,and hydrogen bonding is stronger than the corresponding halogen bond ing.So,hydrogen bonding complexes should be dominant in trihalomethanes.However,it is possible that halogen bonding complex is competitive,even preponderant,in triiodomethane due to the similar interaction energy.This work might provide useful information on specific solvent effects as well as for understanding the mechanism of nitroxide radicals as a bioprobe to interact with the halogenated compounds in biological and biochemical fields.

  17. Formation of the Si-B bond: insertion reactions of silylenes into B-X(X = F, Cl, Br, O, and N) bonds.

    Science.gov (United States)

    Geng, Bing; Xu, Chongjuan; Chen, Zhonghe

    2016-06-01

    The insertion reactions of the silylene H2Si with H2BXHn-1 (X = F, Cl, Br, O, N; n = 1, 1, 1, 2, 3) have been studied by DFT and MP2 methods. The calculations show that the insertions occur in a concerted manner, forming H2Si(BH2)(XHn-1). The essences of H2Si insertions with H2BXHn-1 are the transfers of the σ electrons on the Si atom to the positive BH2 group and the electrons of X into the empty p orbital on the Si atom in H2Si. The order of reactivity in vacuum shows the barrier heights increase for the same-family element X from up to down and the same-row element X from right to left in the periodic table. The energies relating to the B-X bond in H2BXHn-1, and the bond energies of Si-X and Si-B in H2Si(BH2)(XHn-1) may determine the preference of insertions of H2Si into B-X bonds for the same-column element X or for the same-row element X. The insertion reactions in vacuum are similar to those in solvents, acetone, ether, and THF. The barriers in vacuum are lower than those in solvents and the larger polarities of solvents make the insertions more difficult to take place. Both in vacuum and in solvents, the silylene insertions are thermodynamically exothermic. Graphical Abstract The insertion process of H2Si and H2BXHn-1(X = F, Cl, Br, O, and N; n = 1, 1 , 1, 2, 3). PMID:27184004

  18. Antiferromagnetism in a Family of S = 1 Square Lattice Coordination Polymers NiX2(pyz)2 (X = Cl, Br, I, NCS; pyz = Pyrazine).

    Science.gov (United States)

    Liu, Junjie; Goddard, Paul A; Singleton, John; Brambleby, Jamie; Foronda, Francesca; Möller, Johannes S; Kohama, Yoshimitsu; Ghannadzadeh, Saman; Ardavan, Arzhang; Blundell, Stephen J; Lancaster, Tom; Xiao, Fan; Williams, Robert C; Pratt, Francis L; Baker, Peter J; Wierschem, Keola; Lapidus, Saul H; Stone, Kevin H; Stephens, Peter W; Bendix, Jesper; Woods, Toby J; Carreiro, Kimberly E; Tran, Hope E; Villa, Cecelia J; Manson, Jamie L

    2016-04-01

    The crystal structures of NiX2(pyz)2 (X = Cl (1), Br (2), I (3), and NCS (4)) were determined by synchrotron X-ray powder diffraction. All four compounds consist of two-dimensional (2D) square arrays self-assembled from octahedral NiN4X2 units that are bridged by pyz ligands. The 2D layered motifs displayed by 1-4 are relevant to bifluoride-bridged [Ni(HF2)(pyz)2]EF6 (E = P, Sb), which also possess the same 2D layers. In contrast, terminal X ligands occupy axial positions in 1-4 and cause a staggered packing of adjacent layers. Long-range antiferromagnetic (AFM) order occurs below 1.5 (Cl), 1.9 (Br and NCS), and 2.5 K (I) as determined by heat capacity and muon-spin relaxation. The single-ion anisotropy and g factor of 2, 3, and 4 were measured by electron-spin resonance with no evidence for zero-field splitting (ZFS) being observed. The magnetism of 1-4 spans the spectrum from quasi-two-dimensional (2D) to three-dimensional (3D) antiferromagnetism. Nearly identical results and thermodynamic features were obtained for 2 and 4 as shown by pulsed-field magnetization, magnetic susceptibility, as well as their Néel temperatures. Magnetization curves for 2 and 4 calculated by quantum Monte Carlo simulation also show excellent agreement with the pulsed-field data. Compound 3 is characterized as a 3D AFM with the interlayer interaction (J⊥) being slightly stronger than the intralayer interaction along Ni-pyz-Ni segments (J(pyz)) within the two-dimensional [Ni(pyz)2](2+) square planes. Regardless of X, J(pyz) is similar for the four compounds and is roughly 1 K.

  19. Evaluation of the levels of Br, Cl, K, Mg, Mn and V in Perna perna Mussels (Linnaeus, 1758: Mollusca, Bivalvia) collected in coast of Sao Paulo, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Daniele; Vasconcellos, Marina B.A.; Saiki, Mitiki; Catharino, Marilia G.M.; Moreira, Edson G., E-mail: danyseo@uol.com.br, E-mail: mbvascon@ipen.br, E-mail: mitiko@ipen.br, E-mail: mgcatharino@uol.com.br, E-mail: emoreira@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Sousa, Eduinetty C.P.M. de, E-mail: edvinett@usp.br [Universidade de Sao Paulo (IO/USP), Sao Paulo, SP (Brazil). Instituto Oceanografico. Laboratorio de Ecotoxicologia Marinha e Microfitobentos

    2013-07-01

    In this study the content of Br, Cl, K, Mg, Mn and V was evaluated in samples of Perna perna mussels collected in coastal regions of Sao Paulo (Ponta de Itaipu and Palmas Island, in Santos) subjected to anthropogenic contamination, to compare these values with those of mussels from reference site of Cocanha Beach (in Caraguatatuba). The mussels were collected seasonally from September 2008 to July 2009. They were cleaned, ground, homogenized, lyophilized and then analyzed by Instrumental Neutron Activation Analysis (INAA). The INAA procedure consisted in the irradiation of the samples and synthetic elemental standards for 8 and 10 s, under a thermal neutron flux of 6.6 x 10{sup 12} n cm{sup -2} s{sup -1} in the IEA-R1 nuclear research reactor. For quality control of analytical results, certified reference materials NIST 1566b Oyster Tissue and NIST 2876 Mussel Tissue were analyzed and their results indicated good accuracy. The ranges of concentrations (dry basis) of the elements obtained in mussels collected for the four seasons of the year were: 173.80 to 358.99 mg kg{sup -1} for Br; 45658 ± 1811 to 109166 ± 824 mg kg{sup -1} for Cl; 7043 ± 856 to 12506 ± 675 mg kg{sup -1} for K; 2774 ± 211 to 5691 ± 717 mg kg{sup -1} for Mg; 7.01 ± 0.30 to 29.74 ± 3.32 mg kg{sup -1} for Mn and 0.77 ± 0.02 to 3.43 ± 0.28 mg kg{sup -1} for V. The seasonal and spatial variations of these element concentrations were in this study. (author)

  20. 对比分析三角Pr3+中心在CsCdBr3和GdCl3晶体中的能级分裂%Comparative analysis of energy levels splitting for the triagonal Pr3+ centers in CsCdBr3 and GdCl3 crystals

    Institute of Scientific and Technical Information of China (English)

    段美玲; 李晋红; 陈芳

    2015-01-01

    Based upon the combination of Racah’ s group-theoretical consideration with Slater’ s wavefunctions, the 91 × 91 complete energy matrix of 4f2 configuration ion Pr3+ in C3v and C3h crystal field have been constructed respectively. The calculated Stark energy levels of CsCdBr3:Pr3+ and GdCl3:Pr3+ present a good agreement with the experimental values, which implies that the complete energy matrix method can be received as a recommend-able tool to perform a theoretical analysis to the doped crystal. Besides, the detailed comparison has been per-formed about the influence of Pr3+ ions on the energy levels splitting of the host crystal CsCdBr3 and GdCl3 doped with Pr3+ ions, characterized by different point group symmetry. It indicates that the sixth order crystal field pa-rameters play an indispensable role in splitting the energy levels. Additionally, the two systems will experience different local distortion.%以Racah的群表示论和Slater的波函数理论为基础,分别建立了4f2组态离子Pr3+在三角晶体场C3v和C3h中的91×91完全能量矩阵,并对Pr3+离子掺杂在卤化物CsCdBr3和GdCl3中的Stark能级做了计算与分析。结果显示计算值与实验值吻合很好,表明在分析由稀土离子掺杂体系的能级分裂时,完全能量矩阵方法是有效的方法。此外,将两种具有不同点群对称的体系的能级分裂情况作了比较,结果显示六阶晶体场参量对能级分裂的影响是不能忽略的,而且CsCdBr3:Pr3+和GdCl3:Pr3+将产生不同程度的畸变。

  1. Investigation on a two-stage solar liquid-desiccant (LiBr) dehumidification system assisted by CaCl2 solution

    International Nuclear Information System (INIS)

    A two-stage solar powered liquid-desiccant dehumidification system, for which two kinds of desiccant solution (lithium chloride and calcium bromide) are fed to the two dehumidification stages separately, has been studied. In the studied system air moisture (latent) load is separately removed by a pre-dehumidifier using cheap calcium chloride (CaCl2) and a main dehumidifier using stable lithium bromide (LiBr). Side-effect of mixing heat rejected during dehumidification process is considerably alleviated by an indirect evaporative cooling unit added between the two dehumidification stages. The feasibility of high-desiccant concentration difference achieved by reusing desiccant solution to dehumidify air and regenerating desiccant repeatedly is analyzed. By increasing desiccant concentration difference, desiccant storage capacity is effectively explored. It is found that the pre-dehumidification effect of CaCl2 solution is significant in high ambient humidity condition. Also seen is that the desiccant investment can be decreased by 53%, though the cost of equipments is somewhat increased, and the Tcop and COP of the proposed system can reach 0.97 and 2.13, respectively

  2. Absorption of water vapour in the falling film of water-(LiBr + LiI + LiNO{sub 3} + LiCl) in a vertical tube at air-cooling thermal conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bourouis, Mahmoud; Valles, Manel; Medrano, Marc; Coronas, Alberto [Centro de Innovacion Tecnologica en Revalorizacion Energetica y Refrigeracion, CREVER, Universitat Rovira i Virgili, Autovia de Salou, s/n, 43006, Tarragona (Spain)

    2005-05-01

    In air-cooled water-LiBr absorption chillers the working conditions in the absorber and condenser are shifted to higher temperatures and concentrations, thereby increasing the risk of crystallisation. To develop this technology, two main problems are to be addressed: the availability of new salt mixtures with wider range of solubility than water-LiBr, and advanced absorber configurations that enable to carry out simultaneously an appropriate absorption process and an effective air-cooling. One way of improving the solubility of LiBr aqueous solutions is to add other salts to create multicomponent salt solutions. The aqueous solution of the quaternary salt system (LiBr + LiI + LiNO{sub 3} + LiCl) presents favourable properties required for air-cooled absorption systems: less corrosive and crystallisation temperature about 35 K lower than that of water-LiBr.This paper presents an experimental study on the absorption of water vapour over a wavy laminar falling film of an aqueous solution of (LiBr + LiI + LiNO{sub 3} + LiCl) on the inner wall of a water-cooled smooth vertical tube. Cooling water temperatures in the range 30-45 C were selected to simulate air-cooling thermal conditions. The results are compared with those obtained in the same experimental set-up with water-LiBr solutions.The control variables for the experimental study were: absorber pressure, solution Reynolds number, solution concentration and cooling water temperature. The parameters considered to assess the absorber performance were: absorber thermal load, mass absorption flux, degree of subcooling of the solution leaving the absorber, and the falling film heat transfer coefficient.The higher solubility of the multicomponent salt solution makes possible the operation of the absorber at higher salt concentration than with the conventional working fluid water-LiBr. The absorption fluxes achieved with water-(LiBr + LiI + LiNO{sub 3} + LiCl) at a concentration of 64.2 wt% are around 60 % higher than

  3. Preparation of highly dispersed Ru-Sn bimetallic supported catalysts from the single source precursors Cp(PPh32Ru-SnX3 (X = Cl or Br

    Directory of Open Access Journals (Sweden)

    Ana Cláudia Bernardes Silva

    2003-06-01

    Full Text Available In this work highly dispersed Ru-Sn bimetallic catalysts have been prepared from organobimetallic Cp(PPh32Ru-SnX3 (X = Cl or Br complexes. These single source precursors can be easily impregnated in high surface area supports, such as activated carbon and sol-gel SiO2, and upon controlled thermal treatment the ligands are released as volatile products resulting in the formation of the bimetallic system Ru-Sn. Catalytic reactions, such as hydrodechlorination of CCl4 and chlorobenzene and TPR (Temperature Programmed Reduction experiments carried out with these RuSn catalysts suggested a strong interaction between Ruthenium and Tin. Mössbauer measurements showed that these materials when exposed to air are immediately oxidized to form Sn (IV. It was shown that upon controlled reduction conditions with H2 it is possible to reduce selectively Sn to different oxidation states and different phases. The Sn oxidation state showed significant effect on the catalytic hydrogenation of 1,5-cyclooctadiene. The use of these single source precursors with a controlled decomposition/reduction procedure allows the preparation of unique catalysts with an intimate interaction between the components ruthenium and tin and the possibility of varying the Sn oxidation state around the Ru metal.

  4. Enhanced surface modification engineering (H, F, Cl, Br, and NO{sub 2}) of CdS nanowires with and without surface dangling bonds

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Yijie; Xing, Huaizhong, E-mail: xinghz@dhu.edu.cn; Lu, Aijiang; Wang, Chunrui; Xu, Xiaofeng [Department of Applied Physics and State Key Laboratory for Modification of Chemical Fibers and Polymer Materials, Donghua University, Ren Min Road 2999, Songjiang District, Shanghai 201620 (China); Huang, Yan; Chen, Xiaoshuang, E-mail: jqwang@ee.ecnu.edu.cn, E-mail: xschen@mail.sitp.ac.cn [National Lab. of Infrared Physics, Shanghai Institute for Technical Physics, Chinese Academy of Science, 500 Yu Tian Road, Shanghai 200083 (China); Wang, Jiqing, E-mail: jqwang@ee.ecnu.edu.cn, E-mail: xschen@mail.sitp.ac.cn [Key Laboratory of Polarized Materials and Devices, East China Normal University, Shanghai 200062 (China)

    2015-08-07

    Semiconductor nanowires (NWs) can be applied in gas sensing and cell detection, but the sensing mechanism is not clearly understood. In this study, surface modification effect on the electronic properties of CdS NWs for different diameters with several species (H, F, Cl, Br, and NO{sub 2}) is investigated by first principles calculations. The surface dangling bonds and halogen elements are chosen to represent the environment of the surface. Halogen passivation drastically changes the band gaps due to the strong electronegativity and the energy level of halogen atoms. Density of states analysis indicates that valence band maximum (VBM) of halogen-passivated NWs is formed by the p states of halogen atoms, while VBM of H-passivated NWs is originated from Cd 4d and S 3p orbitals. To illustrate that surface modification can be applied in gas sensing, NO{sub 2}-absorbed NWs with different coverage are calculated. Low coverage of NO{sub 2} introduces a deep p-type dopant-like level, while high coverage introduces a shallow n-type dopant-like level into the band structure. The transformation is due to that at low coverage the adsorption is chemical while at high coverage is physical. These findings might promote the understanding of surface modification effect and the sensing mechanism of NWs as gas sensors.

  5. Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I).

    Science.gov (United States)

    Ghara, Manas; Pan, Sudip; Kumar, Anand; Merino, Gabriel; Chattaraj, Pratim K

    2016-09-15

    A density functional theory study is performed to predict the structures and stability of carbon monoxide (CO) bound EX3+ (E = C, Si, Ge, Sn, Pb; X = H, F, Cl, Br, I) complexes. The possibility of bonding through both C- and O-sides of CO is considered. Thermochemical analysis reveals that all the dissociation processes producing CO and EX3+ are endothermic in nature whereas most of the dissociation reactions are endergonic in nature at room temperature. The nature of bonding in EC/O bonds is analyzed via Wiberg bond index, natural population analysis, electron density, and energy decomposition analyses in conjunction with natural orbitals for chemical valence scheme. In comparison to CO stretching frequency ( ν∼CO) in free CO, while a red shift is noted in O-side binding, the C-side binding results in a blue shift in ν∼CO. The relative change in ν∼CO values in CO bound EX3+ complexes on changing either E or X is scrutinized and possible explanation is provided in terms of polarization in the σ- and π-orbitals and the relative strength of C→E or O→E σ-donation and E→C or E→O π-back-donation. © 2016 Wiley Periodicals, Inc. PMID:27425405

  6. Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl~+

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl+,one of the important molecular ions in environment science,have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry.Through analyses of the effects of the spin-orbit coupling interaction on the elec-tronic structures and spectroscopic properties,the multiconfiguration characteristic of the X2Π ground state and low-lying excited states was established.The spin-orbit coupling splitting energy of the X2 Π ground state was calculated to be 1814 cm-1,close to the experimental value 2070 cm-1.The spin-orbit coupling splitting energy of the 2Π(Ⅱ) exited state was predicted to be 766 cm-1.The transition dipole moments and Frank-Condon factors of the 3/2(Ⅲ)-X3/2 and 1/2(Ⅲ)-1/2(I) transitions were estimated,and the radiative lifetimes of the two transitions were briefly discussed.

  7. Theoretical study on potential energy curves and spectroscopy properties of ground and low-lying excited electronic states of BrCl+

    Institute of Scientific and Technical Information of China (English)

    WANG MingWei; WANG BingWu; CHEN ZhiDa

    2008-01-01

    The calculations on the potential energy curves and spectroscopic constants of the ground and low-lying excited states of BrCl+, one of the important molecular ions in environment science, have been performed by using the multireference configuration interaction method at high level of theory in quantum chemistry. Through analyses of the effects of the spin-orbit coupling interaction on the electronic structures and spectroscopic properties, the multiconfiguration characteristic of the X2∏ ground state and low-lying excited states was established. The spin-orbit coupling splitting energy of the X2∏ ground state was calculated to be 1814 cm-1, close to the experimental value 2070 cm-1. The spin-orbit coupling splitting energy of the 2∏(Ⅱ) exited state was predicted to be 766 cm-1. The transition dipole moments and Frank-Condon factors of the 3/2(Ⅲ)-X3/2 and 1/2(Ⅲ)-1/2(Ⅰ) transitions were estimated, and the radiative lifetimes of the two transitions were briefly discussed.

  8. NMR espectroscopic parameters of HX and Si (Sn)X{sub 4} (X = H, F, Cl, Br and I) and SnBr{sub 4-n}I{sub n} model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Maldonado, Alejandro F.; Gimenez, Carlos A. [Physics Department, Natural and Exact Science Faculty, Northeastern University of Argentina and Institute of Modelling and Innovation on Technology, IMIT Avda Libertad 5460, W3404AAS Corrientes (Argentina); Aucar, Gustavo A., E-mail: gaa@unne.edu.ar [Physics Department, Natural and Exact Science Faculty, Northeastern University of Argentina and Institute of Modelling and Innovation on Technology, IMIT Avda Libertad 5460, W3404AAS Corrientes (Argentina)

    2012-02-20

    Graphical abstract: Optimized fully relativistic calculations of NMR J-couplings (HBr, HI), chemical shifts (Si, Sn) and absolute shielding for reference compounds of heavy atoms (Si, Sn) are given. Highlights: Black-Right-Pointing-Pointer In this article we show a procedure to get accurate NMR {sigma}{sup Ref} of Si and Sn. Black-Right-Pointing-Pointer Calculations of {sigma} on more than three heavy-atom-containing molecules are given. Black-Right-Pointing-Pointer Our results are closer to {delta}{sup exp} than previous calculations for SnX{sub 4} (X = H, Cl, Br, I). Black-Right-Pointing-Pointer Optimized basis sets were considered for full R and NR calculations of NMR J and {sigma}. Black-Right-Pointing-Pointer Relativistic effects enlarge electron correlation effects on J-couplings. - Abstract: The NMR spectroscopic parameters are largely influenced by relativistic effects. They are highly dependent on the electronic behavior inside the spatial regions occupied by nuclei. Full relativistic calculations of indirect nuclear spin-spin couplings at random phase level of approach (RPA) in the title compounds with reoptimized Dyall cVTZ basis sets are given. A comparison with the results of calculations with other basis sets that are mostly used within the non-relativistic (NR) domain is presented. We analyzed the dependence of that couplings with the speed of light over the whole range of values, from the full relativistic to the NR regimes. Within this last regime, calculations at the second-order level of approach (SOPPA) indicated that electron correlation effects may not be as important for nuclear magnetic shieldings, but they must be included with care for J-coupling calculations. From these calculations, we determined that relativity enlarges the electron correlation effects of the J-couplings of HBr and HI. Because the results of nuclear magnetic shielding calculations within polarization propagators at the RPA level were reliable, we were able to show a new

  9. Method of obtaining concentrated preparations of Cl36 and Br82 by recoil nuclei under exposure to high-density neutron fields

    International Nuclear Information System (INIS)

    The classical Szilard-Chalmers method for obtaining concentrated radioactive preparations is usually considered rather ineffective when large integral neutron fluxes are used, because of the considerable disintegration of the compound under irradiation. The authors found compounds of bromine and chlorine with carbon which made it possible to enrich considerably the chlorine and bromine in radioisotopes by means of recoil nuclei during exposure to neutron fluxes of the order of 1013 n/cm2s. These compounds correspond to the formula CnX, where X = Cl or Br, and n = 10-20 for chlorine compounds and 25-70 for bromine compounds. They are fairly stable thermally and chemically. The compound C30 Br withstands heat up to 300oC in an argon atmosphere without detachment of bromine; it disintegrates completely at a temperature of 600oC. It is practically unaffected by reducing agents in aqueous sofution. The chlorine and carbon compounds are about as stable as the bromine and carbon compounds. Only strong reducing agents (e.g. solution of the sulphate CrSO4) slowly detach the chlorine from the compounds of chlorine and activated carbon at room temperature. Enrichment of bromine in Br82 with these bromine and carbon compounds goes up 50-500 times in integral fluxes of the order of 5 X 1017 n/cm2. The specific activity of the concentration fluctuates between 6 and 35 mc/mg of bromine, and will probably be raised by improvement of the method. The structure of the compound ensures a good extraction of radioactive bromine (up to 75%) by a very simple technique. The carbon + chlorine iron + chlorine system proved the most effective for obtaining concentrated chlorine-36. By this system an enrichment factor of 6-20 was obtained, with a specific activity of the concentrate of 230-55 μc/g chlorine. The concentration effect when these chlorine and bromine compounds are exposed to neutrons is the cumulative result of a number of processes: formation of radioactive chlorine atoms

  10. Analyses of the tilde{A}-tilde{X} Electronic Transitions of the CH{_2}XOO{\\cdot}(X = i, Br, Cl) Radicals

    Science.gov (United States)

    Kline, Neal; Huang, Meng; Miller, Terry A.

    2016-06-01

    Cavity ringdown, near-infrared spectra have been previously observed following the photolysis of the dihalomethanes(CH{_2}XI, X = I, Br, Cl) in the presence of O{_2} and N{_2}. In last year's Symposium, we presented evidence that all the spectra could be attributed to the tilde{A}-tilde{X} electronic transition of the appropriate CH{_2}XOO{\\cdot} radical. We now present detailed analyses of these spectra. Similar spectral features have been observed for all radicals. The first strong transitions are located around 6800 cm{-1}, and are assigned as associated with the origin. Other strong transitions are observed about 800 cm{-1} blue of the origin, and have a multiple-peak structure similar to the corresponding origin bands. These bands are assigned to be the OO stretch of the tilde{A}-tilde{X} electronic transitions, which are typically strong in the spectra of peroxy radicals, based on electronic structure calculations that provide vibrational frequencies and Franck-Condon factors. One-dimensional calculations of the internal torsion mode are applied to specifically explain the multiple-peak features in both the origin and OO stretch region as series of transitions including sequence bands and other hot bands from the vibrationally excited states of the low-frequency torsion mode in the tilde{X} state, which are significantly populated at room temperature. Additional bands can be assigned to fundamentals or combination bands of various other tilde{A} state modes. N. D. Kline, M. Huang, T. A. Miller, P. Lolur, R. Dawes, FD05, 70th International Symposium of Molecular Spectroscopy(2015)

  11. Theoretical exploration of pnicogen bond noncovalent interactions in HCHO· · · PH2X (X=CH3, H, C6H5, F, Cl, Br, and NO2) complexes

    Indian Academy of Sciences (India)

    Yan-Zhi Liu; Kun Yuan; Zhao Yuan; Yuan-Cheng Zhu; Xiang Zhao

    2015-10-01

    Pnicogen bond (ZB) is a new kind of intermolecular weak interaction, which would be an important strategy for the construction of supramolecular materials. In this paper, ab initio MP2/aug-cc-pvDZ calculations have been carried out to characterize the X-P ⋯ O ZB interactions between HCHO and PH2X (X=CH3, H, C6H5, F, Cl, Br, and NO2). The calculated interaction energies with basis set super-position error (BSSE) corrections in seven ZB complexes are between −7.51 and −20.36 kJ·mol−1. The relative stabilities of the seven complexes increase in the order: HCHO⋯ PH2CH3 < HCHO⋯ PH3 < HCHO⋯ PH2 C6H5 < HCHO⋯ PH2 Br < HCHO⋯ PH2 Cl < HCHO⋯ PH2F < HCHO⋯ PH2NO2. The natural bond orbital (NBO) and natural resonance theory (NRT) analysis were employed to investigate the electron behavior and nature of the ZBs. The natural bond orbital interactions in the ZBs are mainly LP1,2 (O) → * (P-X). The P-X (X= Br, Cl, F and NO2) are more suitable for acting as ZB donors than the P-X (X=H, CH3 and C6H5) groups. The electron density topology properties based on atoms-inmolecules (AIM) theory showed that the ZB interactions in the HCHO⋯ PH2X (X=Br, Cl, F and NO2) are stronger than those of HCHO⋯ PH2 X(X=CH3 , H and C6H5) complexes, indicating that the electron withdrawing of X benefits for the stability of ZB structure.

  12. Framework solids based on copper(II) halides (Cl/Br) and methylene-bridged bis(1-hydroxybenzotriazole): synthesis, crystal structures, magneto-structural correlation, and density functional theory (DFT) studies.

    Science.gov (United States)

    Sasmal, Ashok; Shit, Shyamapada; Rizzoli, Corrado; Wang, Hongfeng; Desplanches, Cédric; Mitra, Samiran

    2012-10-01

    A methylene-bridged 1-hydroxybenzotriazole derived ligand L [L = 1, 3-bis(benzotriazol-1-yl)-1,3-dioxapropane] has been synthesized and characterized by spectroscopic and structural methods. Reaction of L with two different copper(II) halides [CuX(2); X = Br, Cl] in an identical condition yields two different compounds of similar compositions, {[Cu(μ-Br)(Br)(μ-L)](2)}(n)·2nH(2)O (1) and {[Cu(μ-Cl)(Cl)(μ-L)](2)}(n)·2nH(2)O (2), both being characterized by various physicochemical techniques. Single crystal X-ray studies reveal that they appear as 2D coordination polymers with similar bridging fashion of L. Low temperature magnetic susceptibility measurements reveal antiferromagnetic and ferromagnetic behaviors for 1 and 2 with magnetic coupling constants J = -15.2 and +1.7 cm(-1), which are in a reasonable agreement with their calculated values (J = -9.79 and +0.68 cm(-1) respectively, for 1 and 2). The role of bridging halides in the structure and magnetic properties of the complexes are investigated, and a possible magneto-structural correlation has been established. Influence of spin density of bridging halides on the magnitude of coupling constants has been discussed with the help of density functional theory (DFT) calculations. PMID:22974283

  13. High-field magnetization of a two-dimensional spin frustration system, Ni{sub 5}(TeO{sub 3}){sub 4}X{sub 2} (X = Br, Cl)

    Energy Technology Data Exchange (ETDEWEB)

    Her, J L; Matsuda, Y H; Suga, K; Kindo, K; Takeyama, S [Institute for Solid State Physics, University of Tokyo (Japan); Berger, H [Institutes of Physics of Complex Matter, EPFL, Lausanne (Switzerland); Yang, H D [Department of Physics, Center for Nanoscience and Nanotechnology, National Sun Yat-sen University, Taiwan (China)

    2009-10-28

    The high-field magnetization, M(H), of Ni{sub 5}(TeO{sub 3}){sub 4}X{sub 2} (X = Br, Cl) was measured by using a pulse magnet. These compounds have a two-dimensional crystal structure and a distorted Kagome spin frustrated system which is built from the Ni{sup 2+} ions (S = 1). The Neel transition temperatures are T{sub N}approx28 and 23 K for X = Br and Cl, respectively. When TBr and Cl, respectively. On the other hand, for T>T{sub N}, the field-dependent magnetization curves behave like a monotonically increasing straight line up to 55 T. The H{sub c} value is close to those obtained in previous spin resonance studies in which a model of a spin-flop scenario was proposed to explain the field-dependent resonance spectra. With the earlier model a further transition at around 23 T was predicted; however, our observations did not show any plateau behaviors, saturation or other anomalies up to 55 T, suggesting that the further transition possibly exists in a much higher field region.

  14. Evaluation of the levels of Br, Cl, K, Mg, Mn and V in Perna perna mussels (Linnaeus, 1758: Mollusca Bivalvia) collected in the coast of Sao Paulo state, Brazil; Avaliacao dos teores de Br, Cl, K, Mg, Mn e V em mexilhoes Perna perna (Linnaeus, 1758: Mollusca Bivalvia) coletados no litoral do estado de Sao Paulo, Brasil

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Daniele

    2012-07-01

    The coastal environment has been heavily altered by multiple environmental impacts of human activities, such as disposal of sewage from urban areas, the release of numerous chemical industries, agriculture and the flow of vessels, which can lead to accidental spills of oil and oil products, fuels and other products transported by sea. In this context, a means of determining concentrations of these potentially toxic substances in the sea water is the biomonitoring by means of different types of bivalves, which have been used by various researchers, in Brazil and other countries. With regard to bivalve mollusks, particularly mussels, their use in monitoring the marine contamination is mainly due to their wide geographic distribution, sessile habit and ability to concentrate toxic metals to 102-105 times in relation to the concentrations detected in water. In the present study, we employed the passive biomonitoring using the Perna perna bivalve mollusk with respect to the elements Br, Cl, K, Mg, Mn and V. These elements were chosen since they can be determined by INAA method (Instrumental Neutron Activation Analysis), by means of short irradiation which provides faster analyzes and also due to their importance from the standpoint of environmental or nutritional studies. The aim of this study was to evaluate the content of Br, Cl, K, Mg, Mn and V in samples of Perna perna mussels (Linnaeus, 1758: Mollusca, Bivalvia) collected in coastal regions of Sao Paulo subject to anthropogenic contamination (Ponta de Itaipu and Palmas Island, in Santos), comparing the values obtained in sites potentially impacted with the values of the control site in Praia da Cocanha, in Caraguatatuba. The collection points located in Sao Paulo coast are located in the geographical areas 23 Masculine-Ordinal-Indicator 37'S - 45 Degree-Sign 24' W (Caraguatatuba) and 23 Masculine-Ordinal-Indicator 57'S - 46 Masculine-Ordinal-Indicator 20' W (Santos). The collection of organisms

  15. Synthetic, Infrared, 1H and 13C NMR Spectral Studies on N-(2/3/4-Substituted Phenyl)-2,4-Disubstituted Benzenesulphonamides, 2,4-(CH3)2/2-CH3-4-Cl/2,4-Cl2C6H3SO2NH(i-XC6H4) (i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F, 4-Br)

    Science.gov (United States)

    Basappa, Savitha M.; Gowda, Basavalinganadoddy Thimme

    2006-11-01

    Twenty six N-(2/3/4-substituted phenyl)-2,4-disubstituted benzenesulphonamides of the general formulae 2,4-(CH3)2C6H3SO2NH(i-XC6H4), 2-CH3-4-ClC6H3SO2NH(i-XC6H4) and 2,4- Cl2C6H3SO2NH(i-XC6H4), where i-X = H, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl, 4-Cl, 4-F or 4-Br, have been prepared, characterized and their infrared spectra in the solid state and 1H and 13C NMR spectra in solution studied. The infrared N-H stretching vibrational frequencies vary in the range 3298 - 3233 cm-1. Asymmetric and symmetric SO stretching vibrations appear in the ranges 1373 - 1311 cm-1 and 1177 - 1140 cm-1, respectively, while C-S, S-N and C-N stretching absorptions vary in the ranges 840 - 812 cm-1, 972 - 908 cm-1 and 1295 - 1209 cm-1, respectively. The various 1H and 13C NMR chemical shifts are assigned to the protons and carbon atoms of the two benzene rings in line with those for similar compounds. The incremental shifts due to the groups in the parent compounds have been computed by comparing the chemical shifts of the protons or carbon atoms in these compounds with those of benzene or aniline, respectively. The computed incremental shifts and other data were used to calculate the 1H and 13C NMR chemical shifts of the substituted compounds in three different ways. The calculated chemical shifts by the three methods compared well with each other and with the observed chemical shifts. It is observed that there are no particular trends in the variation of either the infrared absorption frequencies or the chemical shifts with the nature or site of substitution.

  16. Mixed-Halide CH3 NH3 PbI3-x Xx (X=Cl, Br, I) Perovskites: Vapor-Assisted Solution Deposition and Application as Solar Cell Absorbers.

    Science.gov (United States)

    Sedighi, Rahime; Tajabadi, Fariba; Shahbazi, Saeed; Gholipour, Somayeh; Taghavinia, Nima

    2016-08-01

    There have been recent reports on the formation of single-halide perovskites, CH3 NH3 PbX3 (X=Cl, Br, I), by means of vapor-assisted solution processing. Herein, the successful formation of mixed-halide perovskites (CH3 NH3 PbI3-x Xx ) by means of a vapor-assisted solution method at ambient atmosphere is reported. The perovskite films are synthesized by exposing PbI2 film to CH3 NH3 X (X=I, Br, or Cl) vapor. The prepared perovskite films have uniform surfaces with good coverage, as confirmed by SEM images. The inclusion of chlorine and bromine into the structure leads to a lower temperature and shorter reaction time for optimum perovskite film formation. In the case of CH3 NH3 PbI3-x Clx , the optimum reaction temperature is reduced to 100 °C, and the resulting phases are CH3 NH3 PbI3 (with trace Cl) and CH3 NH3 PbCl3 with a ratio of about 2:1. In the case of CH3 NH3 PbI3-x Brx , single-phase CH3 NH3 PbI2 Br is formed in a considerably shorter reaction time than that of CH3 NH3 PbI3 . The mesostructured perovskite solar cells based on CH3 NH3 PbI3 films show the best optimal power conversion efficiency of 13.5 %, whereas for CH3 NH3 PbI3-x Clx and CH3 NH3 PbI3-x Brx the best recorded efficiencies are 11.6 and 10.5 %, respectively.

  17. Theoretical Study of the Red-Shifting and Blue-Shifting Hydrogen Bonding Between Pyridine and CHX3 (X=F,Cl ,Br or I)%吡啶与CHX3(X=F,Cl,Br,I)形成分子间红移和蓝移氢键的理论研究

    Institute of Scientific and Technical Information of China (English)

    王素纹; 黎安勇

    2007-01-01

    运用量子化学从头算方法研究了复合物C5H5N…CHX3(X=F,Cl,Br,I)分子间C-H…N和C-H…π氢键.研究表明,在MP2/SDD水平下,分子间C-H…N氢键的形成均使CHX3分子中C-H键伸长,伸缩振动频率减小,形成红移氢键;分子间C-H…π氢键的形成均使CHX3分子中C-H键收缩,伸缩振动频率增大,形成蓝移氢键.振动光谱分析表明,不能根据质子供体分子CHX3的固有偶极矩对C-H键长的导数来判断红移氢键和蓝移氢键.NBO分析表明,超共轭效应占优势,因此形成C-H…N红移氢键;重杂化效应占优势,因此形成C-H…π蓝移氢键.

  18. Using Cl/Br ratios and other indicators to assess potential impacts on groundwater quality from septic systems: A review and examples from principal aquifers in the United States

    Science.gov (United States)

    Katz, B.G.; Eberts, S.M.; Kauffman, L.J.

    2011-01-01

    A detailed review was made of chemical indicators used to identify impacts from septic tanks on groundwater quality. Potential impacts from septic tank leachate on groundwater quality were assessed using the mass ratio of chloride-bromide (Cl/Br), concentrations of selected chemical constituents, and ancillary information (land use, census data, well depth, soil characteristics) for wells in principal aquifers of the United States. Chemical data were evaluated from 1848 domestic wells in 19 aquifers, 121 public-supply wells in 6 aquifers, and associated monitoring wells in four aquifers and their overlying hydrogeologic units. Based on previously reported Cl/Br ratios, statistical comparisons between targeted wells (where Cl/Br ratios range from 400 to 1100 and Cl concentrations range from 20 to 100 mg/L) and non-targeted wells indicated that shallow targeted monitoring and domestic wells (0.5. mg/L) shallow groundwater from target domestic wells, relative to non-target wells (1.5. mg/L), corresponded to significantly higher potassium, boron, chloride, dissolved organic carbon, and sulfate concentrations, which may also indicate the influence of septic-tank effluent. Impacts on groundwater quality from septic systems were most evident for the Eastern Glacial Deposits aquifer and the Northern High Plains aquifer that were associated with the number of housing units using septic tanks, high permeability of overlying sediments, mostly oxic conditions, and shallow wells. Overall, little or no influence from septic systems were found for water samples from the deeper public-supply wells.The Cl/Br ratio is a useful first-level screening tool for assessing possible septic tank influence in water from shallow wells (<20 m) with the range of 400-1100. The use of this ratio would be enhanced with information on other chloride sources, temporal variability of chloride and bromide concentrations in shallow groundwater, knowledge of septic-system age and maintenance, and the

  19. Chemical control of electrical properties and phase diagram of a series of {lambda}-type BETS superconductors, {lambda}-(BETS){sub 2}GaBr{sub x}Cl{sub 4{minus}x}

    Energy Technology Data Exchange (ETDEWEB)

    Tanaka, Hisashi; Kobayashi, Akiko; Sato, Akane; Akutsu, Hiroki; Kobayashi, Hayao

    1999-02-03

    {lambda}-(BETS){sub 2}GaBr{sub x}Cl{sub 4{minus}x} [BETS = bis(ethylenedithio)tetraselenafulvalene; 0 {le} x {le} 2] is a molecular superconductor with strongly correlated conduction electrons. The electrical transport properties of {lambda}-(BETS){sub 2}GaBr{sub x}-Cl{sub 4{minus}x} are drastically changed by varying the bromine content x or by applying pressure. At ambient pressure, the superconducting transition could be observed for x < 0.75. The pressure and x dependencies of {Tc} were examined. The M-H curve (M = magnetization; H = magnetic field) at 2 K indicated the almost perfect Meissner state of the superconducting phase of {lambda}-(BETS){sub 2}GaCl{sub 4}. The H{sub c1} is {approximately} 8 Oe for H{perpendicular} and 12 Oe for H{parallel}, where H{perpendicular} and H{parallel} are the magnetic fields perpendicular and parallel to the c axis, respectively. The magnetic susceptibility of {lambda}-(BETS){sub 2}GaBr{sub x}Cl{sub 4{minus}x} increases with decreasing temperature to {approximately} 60 K, below which the susceptibility becomes x-dependent and tends to be suppressed with increasing x. The isotropic decrease of the static susceptibility at lower temperature observed in the insulating system with x > 1.0 indicates the insulating ground state seems not to be suppressed with increasing x. The isotropic decrease of the static susceptibility at lower temperature observed in the insulating system with x > 1.0 indicates the insulating ground state seems not to be antiferromagnetic but probably nonmagnetic. The crystal structure determinations of a series of {lambda}-(BETS){sub 2}GaBr{sub x}Cl{sub 4{minus}x} and the calculations of the intermolecular overlap integrals of the highest occupied molecular orbital of BETS were made to elucidate a key factor of the superconducting transition mechanism. The x-dependence of intermolecular overlap integrals seems to suggest that the magnitude of the spin gap of the nonmagnetic insulating state tends to be

  20. Using Cl/Br ratios and other indicators to assess potential impacts on groundwater quality from septic systems: A review and examples from principal aquifers in the United States

    Science.gov (United States)

    Katz, Brian G.; Eberts, Sandra M.; Kauffman, Leon J.

    2011-02-01

    SummaryA detailed review was made of chemical indicators used to identify impacts from septic tanks on groundwater quality. Potential impacts from septic tank leachate on groundwater quality were assessed using the mass ratio of chloride-bromide (Cl/Br), concentrations of selected chemical constituents, and ancillary information (land use, census data, well depth, soil characteristics) for wells in principal aquifers of the United States. Chemical data were evaluated from 1848 domestic wells in 19 aquifers, 121 public-supply wells in 6 aquifers, and associated monitoring wells in four aquifers and their overlying hydrogeologic units. Based on previously reported Cl/Br ratios, statistical comparisons between targeted wells (where Cl/Br ratios range from 400 to 1100 and Cl concentrations range from 20 to 100 mg/L) and non-targeted wells indicated that shallow targeted monitoring and domestic wells (0.5 mg/L) shallow groundwater from target domestic wells, relative to non-target wells (1.5 mg/L), corresponded to significantly higher potassium, boron, chloride, dissolved organic carbon, and sulfate concentrations, which may also indicate the influence of septic-tank effluent. Impacts on groundwater quality from septic systems were most evident for the Eastern Glacial Deposits aquifer and the Northern High Plains aquifer that were associated with the number of housing units using septic tanks, high permeability of overlying sediments, mostly oxic conditions, and shallow wells. Overall, little or no influence from septic systems were found for water samples from the deeper public-supply wells. The Cl/Br ratio is a useful first-level screening tool for assessing possible septic tank influence in water from shallow wells (<20 m) with the range of 400-1100. The use of this ratio would be enhanced with information on other chloride sources, temporal variability of chloride and bromide concentrations in shallow groundwater, knowledge of septic-system age and maintenance, and

  1. Phase Equilibria of Quaternary SystemNaCl-NaBr-Na2B4O7-H2O at 348 K

    Institute of Scientific and Technical Information of China (English)

    LI Ting; SANG Shi-hua; CUI Rui-zhi; ZHANG Kai-jie

    2013-01-01

    The phase equilibria of quatemary system NaC1-NaBr-Na2B4O7-H2O at 348 K were studied by the isothermal equilibrium method.The solubilities and densities of the equilibrium solution were determined.According to the experimental data,the phase diagram,density-composition diagrams and water content diagram of the quaternary system at 348 K were plotted respectively.And the phase diagram consists of one univariant curve,two crystallization fields and without any invariant point of the quaternary system.The equilibrium solid phases of the two crystallization fields were Na(C1,Br) and Na2B4O7·SH2O.The experimental results show that the quaternary system contained solid solution.The densities of the solution decrease with increasing NaC1 concentration and increase with increasing NaBr concentration.

  2. Behavior of Halogen Bonds of the Y-X⋅⋅⋅π Type (X, Y=F, Cl, Br, I) in the Benzene π System, Elucidated by Using a Quantum Theory of Atoms in Molecules Dual-Functional Analysis.

    Science.gov (United States)

    Sugibayashi, Yuji; Hayashi, Satoko; Nakanishi, Waro

    2016-08-18

    The nature of halogen bonds of the Y-X-✶-π(C6 H6 ) type (X, Y=F, Cl, Br, and I) have been elucidated by using the quantum theory of atoms in molecules (QTAIM) dual-functional analysis (QTAIM-DFA), which we proposed recently. Asterisks (✶) emphasize the presence of bond-critical points (BCPs) in the interactions in question. Total electron energy densities, Hb (rc ), are plotted versus Hb (rc )-Vb (rc )/2 [=(ħ(2) /8m)∇(2) ρb (rc )] for the interactions in QTAIM-DFA, in which Vb (rc ) are potential energy densities at the BCPs. Data for perturbed structures around fully optimized structures were used for the plots, in addition to those of the fully optimized ones. The plots were analyzed by using the polar (R, θ) coordinate for the data of fully optimized structures with (θp , κp ) for those that contained the perturbed structures; θp corresponds to the tangent line of the plot and κp is the curvature. Whereas (R, θ) corresponds to the static nature, (θp , κp ) represents the dynamic nature of the interactions. All interactions in Y-X-✶-π(C6 H6 ) are classified by pure closed-shell interactions and characterized to have vdW nature, except for Y-I-✶-π(C6 H6 ) (Y=F, Cl, Br) and F-Br-✶-π(C6 H6 ), which have typical hydrogen-bond nature without covalency. I-I-✶-π(C6 H6 ) has a borderline nature between the two. Y-F-✶-π(C6 H6 ) (Y=Br, I) were optimized as bent forms, in which Y-✶-π interactions were detected. The Y-✶-π interactions in the bent forms are predicted to be substantially weaker than those in the linear F-Y-✶-π(C6 H6 ) forms. PMID:27124373

  3. Behavior of Halogen Bonds of the Y-X⋅⋅⋅π Type (X, Y=F, Cl, Br, I) in the Benzene π System, Elucidated by Using a Quantum Theory of Atoms in Molecules Dual-Functional Analysis.

    Science.gov (United States)

    Sugibayashi, Yuji; Hayashi, Satoko; Nakanishi, Waro

    2016-08-18

    The nature of halogen bonds of the Y-X-✶-π(C6 H6 ) type (X, Y=F, Cl, Br, and I) have been elucidated by using the quantum theory of atoms in molecules (QTAIM) dual-functional analysis (QTAIM-DFA), which we proposed recently. Asterisks (✶) emphasize the presence of bond-critical points (BCPs) in the interactions in question. Total electron energy densities, Hb (rc ), are plotted versus Hb (rc )-Vb (rc )/2 [=(ħ(2) /8m)∇(2) ρb (rc )] for the interactions in QTAIM-DFA, in which Vb (rc ) are potential energy densities at the BCPs. Data for perturbed structures around fully optimized structures were used for the plots, in addition to those of the fully optimized ones. The plots were analyzed by using the polar (R, θ) coordinate for the data of fully optimized structures with (θp , κp ) for those that contained the perturbed structures; θp corresponds to the tangent line of the plot and κp is the curvature. Whereas (R, θ) corresponds to the static nature, (θp , κp ) represents the dynamic nature of the interactions. All interactions in Y-X-✶-π(C6 H6 ) are classified by pure closed-shell interactions and characterized to have vdW nature, except for Y-I-✶-π(C6 H6 ) (Y=F, Cl, Br) and F-Br-✶-π(C6 H6 ), which have typical hydrogen-bond nature without covalency. I-I-✶-π(C6 H6 ) has a borderline nature between the two. Y-F-✶-π(C6 H6 ) (Y=Br, I) were optimized as bent forms, in which Y-✶-π interactions were detected. The Y-✶-π interactions in the bent forms are predicted to be substantially weaker than those in the linear F-Y-✶-π(C6 H6 ) forms.

  4. Synthesis, characterization and sorption properties of functionalized Cr-MIL-101-X (X=-F, -Cl, -Br, -CH3, -C6H4, -F2, -(CH3)2) materials

    Science.gov (United States)

    Buragohain, Amlan; Couck, Sarah; Van Der Voort, Pascal; Denayer, Joeri F. M.; Biswas, Shyam

    2016-06-01

    Four existing and three new functionalized chromium terephthalates having MIL-101 topology and denoted as Cr-MIL-101-X (existing ones with X=-F, 1-F; -Cl, 2-Cl; -Br, 3-Br; -CH3, 4-CH3; new ones with X=-C6H4, 5-C6H4; -F2, 6-F2, -(CH3)2, 7-(CH3)2) were synthesized under hydrothermal conditions. All the materials except 5-C6H4 could be prepared by a general synthetic route, in which the mixtures of CrO3, H2BDC-X (BDC=1,4-benzenedicarboxylate) linkers, conc. HCl and water with a molar ratio of 1:1:3.9:222.2 were reacted at 180 °C for 144 h. Compared to the 144 h of synthesis time, three of the compounds, namely 1-Cl, 2-Br and 5-C6H4, could be prepared in much shorter reaction times (12-18 h at 180-210 °C). The materials possess high thermal stability up to 270-300 °C in an air atmosphere. The activated compounds exhibit significant porosity (SBET range: 1273-2135 m2 g-1). At 0 °C and 1 bar, the CO2 adsorption capacities of the compounds fall in the 1.7-2.9 mmol g-1 range. Compounds 1-F and 6-F2 showed enhanced CO2 uptake values compared to parent Cr-MIL-101. The benzene adsorption capacities of the compounds lie in the range of 66.2-139.5 molecules per unit cell at 50 °C and p/p0=0.35. The increased benzene uptake value of 1-F compared to un-functionalized Cr-MIL-101 and 4-CH3 suggests that the fluorination has induced more hydrophobicity in Cr-MIL-101 as compared to the methylation.

  5. The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI{sub 6} octahedral complex to a PtI{sub 3} moiety bound to His15

    Energy Technology Data Exchange (ETDEWEB)

    Tanley, Simon W. M.; Starkey, Laurina-Victoria; Lamplough, Lucinda; Kaenket, Surasek; Helliwell, John R., E-mail: john.helliwell@manchester.ac.uk [University of Manchester, Brunswick Street, Manchester M13 9PL (United Kingdom)

    2014-08-29

    The platinum hexahalides have an octahedral arrangement of six halogen atoms bound to a Pt centre, thus having an octahedral shape that could prove to be useful in interpreting poor electron-density maps. In a detailed characterization, PtI{sub 6} chemically transformed to a square-planar PtI{sub 3} complex bound to the N{sup δ} atom of His15 of HEWL was also observed, which was not observed for PtBr{sub 6} or PtCl{sub 6}. This study examines the binding and chemical stability of the platinum hexahalides K{sub 2}PtCl{sub 6}, K{sub 2}PtBr{sub 6} and K{sub 2}PtI{sub 6} when soaked into pre-grown hen egg-white lysozyme (HEWL) crystals as the protein host. Direct comparison of the iodo complex with the chloro and bromo complexes shows that the iodo complex is partly chemically transformed to a square-planar PtI{sub 3} complex bound to the N{sup δ} atom of His15, a chemical behaviour that is not exhibited by the chloro or bromo complexes. Each complex does, however, bind to HEWL in its octahedral form either at one site (PtI{sub 6}) or at two sites (PtBr{sub 6} and PtCl{sub 6}). As heavy-atom derivatives of a protein, the octahedral shape of the hexahalides could be helpful in cases of difficult-to-interpret electron-density maps as they would be recognisable ‘objects’.

  6. Preparation of highly dispersed Ru-Sn bimetallic supported catalysts from the single source precursors Cp(PPh3)2Ru-SnX3 (X = Cl or Br)

    OpenAIRE

    Ana Cláudia Bernardes Silva; Ana Paula Guimarães de Sousa; José Domingos Ardisson; Helmuth Guido Luna Siebald; Edmilson Moura; Eduardo Nicolau dos Santos; Nelcy Della Santina Mohallem; Rochel Montero Lago

    2003-01-01

    In this work highly dispersed Ru-Sn bimetallic catalysts have been prepared from organobimetallic Cp(PPh3)2Ru-SnX3 (X = Cl or Br) complexes. These single source precursors can be easily impregnated in high surface area supports, such as activated carbon and sol-gel SiO2, and upon controlled thermal treatment the ligands are released as volatile products resulting in the formation of the bimetallic system Ru-Sn. Catalytic reactions, such as hydrodechlorination of CCl4 and chlorobenzene and TPR...

  7. The association between content of the elements S, Cl, K, Fe, Cu, Zn and Br in normal and cirrhotic liver tissue from Danes and Greenlandic Inuit examined by dual hierarchical clustering analysis

    DEFF Research Database (Denmark)

    Laursen, Jens; Milman, Nils; Pind, Niels;

    2014-01-01

    PROJECT: Meta-analysis of previous studies evaluating associations between content of elements sulphur (S), chlorine (Cl), potassium (K), iron (Fe), copper (Cu), zinc (Zn) and bromine (Br) in normal and cirrhotic autopsy liver tissue samples. PROCEDURE: Normal liver samples from 45 Greenlandic...... Inuit, median age 60 years and from 71 Danes, median age 61 years. Cirrhotic liver samples from 27 Danes, median age 71 years. Element content was measured using X-ray fluorescence spectrometry. STATISTICS: Dual hierarchical clustering analysis, creating a dual dendrogram, one clustering element....... The analysis discriminated between elements in normal and cirrhotic livers. The other dendrogram clustered elements in four clusters: sulphur and chlorine; copper and bromine; potassium and zinc; iron. There were significant correlations between the elements in normal liver samples: S was associated with Cl, K...

  8. NaBr, NaCl和KBr在几种有机溶剂中活度系数的测定%Activity Coefficient Measurement of NaBr, NaCl and KBr in Selected Organic Solvents

    Institute of Scientific and Technical Information of China (English)

    姜波; 王利生; 李弥异

    2011-01-01

    In this paper, the conductivities of NaBr in methanol, ethanol, 1-propanol, 2-propanol, NaC1 and KBr in methanol, ethanol system (solution concentration within 0. 1 mol· L-1 ) were determined at 298.15 K, 313.15 K and 323.15 K at atmosphere pressure respectively. The mean ion activity coefficients of NaBr, NaC1 and KBr in various organic solvents were calculated according to DebyeHacker limiting law and Onsager-Falkenhangen equations. The effects of concentration and temperature on activity coefficients of electrolyte solutions were discussed. The calculated results were compared with those of NaBr in ethanol, NaC1 in methanol and KBr in methanol reported in literature. The results show that the experimental data obtained by conductivity method have good agreement with data in literature.%分别测定了NaBr在甲醉、乙醇、正丙醉和异丙醇中,NaCI和KBr在甲醉和乙醉中共8个体系(溶液物质的量的浓度在0.1 mol·L(-1)范围内)在298.15,313.15和323.15 K下的电导率,利用Debye-Hiicker和Osager-Falkenhangen公式计算了以上溶液体系的平均离子活度系数,讨论了浓度和温度对电解质溶液活度系数的影响.其中NaBr在乙醇中,NaCI在甲醉中和KBr在甲醇中的平均离子活度系数的计算结果与已发表文献中的数据进行了比较.结果表明,该方法的活度系数结果与文献数据有较好的一致性.

  9. 无铅或少铅钙钛矿CH3NH3M1-xPbxX3(M=Sn,Sr;X=Cl,Br,I)太阳能电池的研究进展%Research Development of Lead-free or Less-lead Perovskite CH3NH3M1-xPbxX3 (M =Sn, Sr and X =Cl, Br, I) Solar Cells

    Institute of Scientific and Technical Information of China (English)

    邸学倩; 杨秋华; 安宏乐

    2015-01-01

    本文综述了Sn2+或Sr2+取代的无铅或少铅钙钛矿CH3NH3PbX3 (X=Cl,Br,I)的结构及其主要的制备方法,评述了各种方法的优缺点.简要介绍了无铅或少铅钙钛矿材料的能隙以及材料的稳定性对太阳能电池的影响,并对其发展前景进行了展望.

  10. Synthesis and Chemical Characterization of the Hexanuclear Anions [IR6(CO)14X]- (X=CL, BR, I, OR SCN): Crystal and Molecular-Structures of [PPH4][IR6(MU-CO)2(CO)12(MU-BR)] and [N(PPH3)2][IR6(MU-CO)2(CO)12(MU-X)] (X=I OR SCN)

    OpenAIRE

    DELLA PERGOLA, R; Garlaschelli, L; MARTINENGO, S; Demartin, F; M. Manassero; N. Masciocchi

    1988-01-01

    The salts of the monosubstituted hexanuclear anions [Ir6(CO)14X]- [X = Cl (1,)Br (2), I (3), or SCN (4)] have been prepared by treating [Ir6(CO)16] with halides or pseudohalides at room temperature in tetrahydrofuran solution. The three anions consist of slightly distorted octahedra of iridium atoms bearing twelve terminal and two edge bridging carbon monoxide groups. In all cases the halogen atoms or the pseudohalogen group adopt a bridging co-ordination on an Ir-lr edge.

  11. Exploring the C-X…π Halogen Bonding Motif: An Infrared and Raman Study of the Complexes of CF3X (X = Cl, Br and I with the Aromatic Model Compounds Benzene and Toluene

    Directory of Open Access Journals (Sweden)

    Wouter A. Herrebout

    2013-06-01

    Full Text Available The formation of halogen bonded complexes formed between the trifluorohalomethanes CF3Cl, CF3Br and CF3I and the Lewis bases benzene and toluene at temperatures below 150K was investigated using FTIR and Raman spectroscopy. Experiments using liquid krypton as solvent show that for both CF3Br and CF3I substantial fractions of the monomers can be involved in 1:1 complexes. In addition, weak absorptions illustrating the formation of 2:1 complexes between CF3I and benzene are observed. Using spectra recorded at temperatures between 120 and 140 K, observed information on the relative stability was obtained for all complexes by determining the complexation enthalpies in solution. The resulting values for CF3Br.benzene, CF3I.benzene and (CF3I2.benzene are −6.5(3, −7.6(2 and −14.5(9 kJ mol−1. The values for CF3Br.toluene and CF3I.toluene are −6.2(5 and −7.4(5 kJ mol−1. The experimental complexation enthalpies are compared with theoretical data obtained by combining results from MP2/aug-cc-pVDZ(-PP and MP2/aug-cc-pVTZ(-PP ab initio calculations, from statistical thermodynamical calculations and from Monte Carlo Free Energy Perturbation simulations. The data are also compared with results derived for other C-X···π halogen bonded complexes involving unsaturated Lewis bases such as ethene and ethyne.

  12. Synthesis, structural and optical characterization of APbX3 (A=methylammonium, dimethylammonium, trimethylammonium; X=I, Br, Cl) hybrid organic-inorganic materials

    Science.gov (United States)

    Mancini, Alessandro; Quadrelli, Paolo; Amoroso, Giuseppe; Milanese, Chiara; Boiocchi, Massimo; Sironi, Angelo; Patrini, Maddalena; Guizzetti, Giorgio; Malavasi, Lorenzo

    2016-08-01

    In this paper we report the synthesis, the crystal structure and the optical response of APbX3 (A=MA, DMA, and TMA; X=I, Br) hybrid organic-inorganic materials including some new phases. We observe that as the cation group increases in size, the optical absorption edge shifts to higher energies with energy steps which are systematic and independent on the anion. A linear correlation between the optical bad gap and the tolerance factor has been shown for the series of samples investigated.

  13. The motley family of polar compounds (MV)[M(X{sub 5-x}X Prime {sub x})] based on anionic chains of trans-connected M{sup (III)}(X,X Prime ){sub 6} octahedra (M=Bi, Sb; X, X Prime =Cl, Br, I) and methylviologen (MV) dications

    Energy Technology Data Exchange (ETDEWEB)

    Leblanc, Nicolas [Laboratoire MOLTECH-Anjou, UMR-CNRS 6200, Universite d' Angers 2 Bd Lavoisier, 49045 Angers (France); Mercier, Nicolas, E-mail: nicolas.mercier@univ-angers.fr [Laboratoire MOLTECH-Anjou, UMR-CNRS 6200, Universite d' Angers 2 Bd Lavoisier, 49045 Angers (France); Allain, Magali; Toma, Oksana [Laboratoire MOLTECH-Anjou, UMR-CNRS 6200, Universite d' Angers 2 Bd Lavoisier, 49045 Angers (France); Auban-Senzier, Pascale; Pasquier, Claude [Laboratoire de Physique des Solides, UMR-CNRS 8502, Bat. 510,Universite Paris Sud, 91405 Orsay (France)

    2012-11-15

    The search for hybrid organic-inorganic materials remains a great challenge in the field of ferroelectrics. Following the discovery of the room temperature ferroelectric material (MV)[BiI{sub 3}Cl{sub 2}] (MV{sup 2+}: methylviologen) exhibiting the highest polarization value in the field of hybrid ferroelectrics, we report here nine new hybrids with the general formulation (MV)[M{sup (III)}X{sub 5-x}X Prime {sub x}] (M=Bi, Sb; X, X Prime =Cl, Br, I): (MV)[BiCl{sub 3.3}Br{sub 1.7}] (1), (MV)[BiCl{sub 1.3}Br{sub 3.7}] (2), (MV)[BiBr{sub 3.2}I{sub 1.8}] (3), (MV)[SbCl{sub 5}] (4), (MV)[SbBr{sub 5}] (5), (MV)[SbCl{sub 3.8}Br{sub 1.2}] (6), (MV)[SbCl{sub 2.4}Br{sub 2.6}] (7), (MV)[SbI{sub 3}Cl{sub 2}] (8) and (MV)[SbBr{sub 3.8}I{sub 1.2}] (9). Depending on the presence of polar chains or not, and on the coupling of polar chains, two types of centrosymmetrical structures [C1] and [C2] and two types of polar structures [P1] and [P2] are defined. (2) undergoes a paraelectric-to-relaxor ferroelectric transition around 100-150 K depending of the frequency showing that the Curie temperature, T{sub C}, of (MV)[BiBr{sub 5}] (243 K) can be modulated by the substitution of Br by Cl. The most interesting family is the [P2] type because the syn coupling of polar chains is in favor of high polarization values, as in (MV)[BiI{sub 3}Cl{sub 2}]. Five of the nine new hybrids, (4), (6-9), which have the [P2] type structure are potential ferroelectrics. - Graphical abstract: The methylviologen haloantimonate (MV)[SbX{sub 5-x}X Prime {sub x}] families (X, X Prime =Cl, Br, I) - [P1] and [P2] are the two kinds of polar structures - and view of the (MV)[SbBr{sub 3.8}I{sub 1.2}] hybrid based on chiral polar chains which are in syn coupling. Highlights: Black-Right-Pointing-Pointer Nine hybrids based on methylviologen and halometalate chains have been discovered. Black-Right-Pointing-Pointer The polar nature of chains is due to the ns{sup 2} stereoactivity of Sb{sup (III)} or Bi{sup (III

  14. Synthesis and studies of dihalophosphate of (Ge,Ti,Sb,Sn)and the compounds Br-3B.OPBrCl-2 and (Me-2 Pcs)2O

    International Nuclear Information System (INIS)

    The compounds Et3 GeOp(O)X2 were prepared by the reaction of P2O3X4 with (Et3Ge)2O in 1:1 molar ratio.Further in terest was also to study the interaction of the compounds Et-3Ge OP(0)X-2 with lewis acids (Ticl-4,Sbcl-5),and to prepare the dihalophosphate of Ti and Sb.The compounds Et-3 GeOP(O)X-2.Sbcl-5(X=F,cl)have been formed,when Et-3 GeOP(O)X-2 was reacted with Sbcl-5 in the ratio 1:1.From the Ir spectra of the above memtioned compounds it was concluded that Sbcl-5 has no ability to cleave the Ge-O bond in the compounds Et-3 GeOP(O)X-2 and therefore the adduct formation occurs as a result of interaction between the terminal oxygen atom in Et-3 GeOP(O)X-2 and Sb atom containing an empty 'd' orbital.Compound Me-3Sno- Pcl-2 has been prepared by a new method,by reaction Me-3SnNEt-2 with P-2O-3 Cl-4 in ctt-2cl-2.(23 tabs., 22 figs., 70 refs.)

  15. Exploring the Reactivity Trends in the E2 and SN2 Reactions of X(-) + CH3CH2Cl (X = F, Cl, Br, HO, HS, HSe, NH2 PH2, AsH2, CH3, SiH3, and GeH3).

    Science.gov (United States)

    Wu, Xiao-Peng; Sun, Xiao-Ming; Wei, Xi-Guang; Ren, Yi; Wong, Ning-Bew; Li, Wai-Kee

    2009-06-01

    The reactivity order of 12 anions toward ethyl chloride has been investigated by using the G2(+) method, and the competitive E2 and SN2 reactions are discussed and compared. The reactions studied are X(-) + CH3CH2Cl → HX + CH2═CH2 + Cl(-) and X(-) + CH3CH2Cl → CH3CH2X + Cl(-), with X = F, Cl, Br, HO, HS, HSe, NH2 PH2, AsH2, CH3, SiH3, and GeH3. Our results indicate that there is no general and straightforward relationship between the overall barriers and the proton affinity (PA) of X(-); instead, discernible linear correlations only exist for the X's within the same group of the periodic table. Similar correlations are also found with the electronegativity of central atoms in X, deformation energy of the E2 transition state (TS), and the overall enthalpy of reaction. It is revealed that the electronegativity will significantly affect the barrier height, and a more electronegative X will stabilize the E2 and SN2 transition states. Multiple linear regression analysis shows that there is a reasonable linear correlation between E2 (or SN2) overall barriers and the linear combination of PA of X(-) and electronegativity of the central atom.

  16. A rapid method for the measurement of sulfur hexafluoride (SF6), trifluoromethyl sulfur pentafluoride (SF5CF3), and Halon 1211 (CF2ClBr) in hydrologic tracer studies

    Science.gov (United States)

    Busenberg, Eurybiades; Plummer, L. Niel

    2010-01-01

    A rapid headspace method for the simultaneous laboratory determination of intentionally introduced hydrologic tracers, sulfur hexafluoride (SF6), trifluoromethyl sulfur pentafluoride (SF5CF3), Halon 1211 (CF2ClBr), and other halocarbons in water and gases is described. The high sensitivity of the procedure allows for introduction of minimal tracer mass (a few grams) into hydrologic systems with a large dynamic range of analytical detection (dilutions to 1:108). Analysis times by gas chromatography with electron capture detector are less than 1 min for SF6; about 2 min for SF6 and SF5CF3; and 4 min for SF6, SF5CF3, and Halon 1211. Many samples can be rapidly collected, preserved in stoppered septum bottles, and analyzed at a later time in the laboratory. Examples are provided showing the effectiveness of the gas tracer test studies in varied hydrogeological settings.

  17. Analytical formulae for total cross sections for electron scattering by atoms (N, O, F, Ne, P, S, Cl, Ar, As, Se, Br, Kr) between 0.5-10 keV

    Energy Technology Data Exchange (ETDEWEB)

    Williart, A. [Univ. Nacional de Educacion a Distancia, Madrid (Spain). Dept. de Fisica de los Materiales; Garcia, G. [Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas, Madrid (Spain)

    2001-10-01

    Analytical formulae for total cross sections for electron scattering by atoms which are close to the noble gases (Ne, Ar and Kr), for electron energies ranging from 0.5 to 10 keV, have been obtained in this study. We have shown, previously, that molecular total cross sections, at these energies, depend on target polarizability and the number of target electrons. A similar behaviour has been supposed for total cross sections of some atoms (N, O, F, P, S, Cl, As, Se and Br). The obtained expression depends on atomic parameters and it is based in some correlation derived from noble gases. The applicability of the formula has been checked by comparison with available data for atomic oxygen. (orig.)

  18. Proton response of CEPA4: A novel LaBr{sub 3}(Ce)–LaCl{sub 3}(Ce) phoswich array for high-energy gamma and proton spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Nácher, E., E-mail: enrique.nacher@csic.es [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Mårtensson, M. [Chalmers University of Technology, S-41296 Göteborg (Sweden); Tengblad, O. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Álvarez-Pol, H. [Universidad de Santiago de Compostela, E-15782 (Spain); Bendel, M. [Technische Universität München, 80333 (Germany); Cortina-Gil, D. [Universidad de Santiago de Compostela, E-15782 (Spain); Gernhäuser, R.; Le Bleis, T. [Technische Universität München, 80333 (Germany); Maj, A. [Polish Acad. Sci., H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow (Poland); Nilsson, T. [Chalmers University of Technology, S-41296 Göteborg (Sweden); Perea, A. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Pietras, B. [Universidad de Santiago de Compostela, E-15782 (Spain); Ribeiro, G.; Sánchez del Río, J.; Sánchez Rosado, J. [Instituto de Estructura de la Materia, CSIC, E-28006 Madrid (Spain); Heinz, A. [Chalmers University of Technology, S-41296 Göteborg (Sweden); Szpak, B. [Polish Acad. Sci., H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow (Poland); Winkel, M. [Technische Universität München, 80333 (Germany); Zieblinski, M. [Polish Acad. Sci., H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow (Poland)

    2015-01-01

    A new phoswich array, for the detection of high-energy protons and gamma rays from nuclear reactions, has been built. This new detector consists of four individual closely packed scintillator detectors, each of them made of 4 cm of LaBr{sub 3}(Ce) and 6 cm of LaCl{sub 3}(Ce) in phoswich configuration (optically coupled and with a common readout). In this paper we report on the results of a beam test performed at the Bronowice Cyclotron Centre (CCB) in Krakow, showing the response of this versatile instrument to high energy protons (70–230 MeV). Furthermore, for the first time we prove that we can reconstruct the original energy of fast protons (E>200MeV) which pass through the total length of the crystal while still retaining a good energy resolution.

  19. A rapid method for the measurement of sulfur hexafluoride (SF6), trifluoromethyl sulfur pentafluoride (SF5CF3), and Halon 1211 (CF2ClBr) in hydrologic tracer studies

    Science.gov (United States)

    Busenberg, Eurybiades; Plummer, L. Niel

    2010-11-01

    A rapid headspace method for the simultaneous laboratory determination of intentionally introduced hydrologic tracers, sulfur hexafluoride (SF6), trifluoromethyl sulfur pentafluoride (SF5CF3), Halon 1211 (CF2ClBr), and other halocarbons in water and gases is described. The high sensitivity of the procedure allows for introduction of minimal tracer mass (a few grams) into hydrologic systems with a large dynamic range of analytical detection (dilutions to 1:108). Analysis times by gas chromatography with electron capture detector are less than 1 min for SF6; about 2 min for SF6 and SF5CF3; and 4 min for SF6, SF5CF3, and Halon 1211. Many samples can be rapidly collected, preserved in stoppered septum bottles, and analyzed at a later time in the laboratory. Examples are provided showing the effectiveness of the gas tracer test studies in varied hydrogeological settings.

  20. Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment.

    Science.gov (United States)

    Filip, Marina R; Hillman, Samuel; Haghighirad, Amir Abbas; Snaith, Henry J; Giustino, Feliciano

    2016-07-01

    The recent discovery of lead-free halide double perovskites with band gaps in the visible represents an important step forward in the design of environmentally friendly perovskite solar cells. Within this new family of semiconductors, Cs2BiAgCl6 and Cs2BiAgBr6 are stable compounds crystallizing in the elpasolite structure. Following the recent computational discovery and experimental synthesis of these compounds, a detailed investigation of their electronic properties is warranted in order to establish their potential as optoelectronic materials. In this work, we perform many-body perturbation theory calculations and obtain high accuracy band gaps for both compounds. In addition, we report on the synthesis of Cs2BiAgBr6 single crystals, which are stable in ambient conditions. From our complementary theoretical and experimental analysis, we are able to assign the indirect character of the band gaps and obtain both experimental and theoretical band gaps of these novel semiconductors that are in close agreement. PMID:27322413

  1. Theoretical calculations of spin-Hamiltonian parameters for the (MoOX{sub 5}){sup 2−} (X=Cl, Br) metallic complexes in solution or frozen-glass

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Yang [School of Physics and Electronic Engineering, Mianyang Normal University, Mianyang 621000 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Research Center of Computational Physics, Mianyang Normal University, Mianyang 621000 (China); Zheng, Wen-Chen, E-mail: zhengwc1@163.com [Department of Material Science, Sichuan University, Chengdu 610064 (China); Zhang, Lin [Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Chen, Bo-Wei [School of Physics and Electronic Engineering, Mianyang Normal University, Mianyang 621000 (China); Research Center of Laser Fusion, CAEP, Mianyang 621900 (China); Research Center of Computational Physics, Mianyang Normal University, Mianyang 621000 (China)

    2014-11-01

    The spin-Hamiltonian parameters (g factors g{sub //}, g{sub ⊥} and hyperfine structure constants A{sub //}, A{sub ⊥}) of the (MoOX{sub 5}){sup 2−} (X=Cl, Br) metallic complexes in solution or frozen-glass are calculated from the high-order perturbation formulas based on the two-mechanism model. In these formulas, the contributions to spin-Hamiltonian parameters due to both the widely-applied crystal-field (CF) mechanism and the charge-transfer (CT) mechanism (which is neglected in CF theory) are taken into account, and the needed CF and CT energy levels are obtained from the optical spectra. The calculated results with two adjustable parameters are in reasonable agreement with the experimental values. The calculations show that (i) the relative importance of CT mechanism in (MoOBr{sub 5}){sup 2−} metallic complexes is larger than that in (MoOCl{sub 5}){sup 2−} ones because of the stronger covalence of Mo{sup 5+}–Br{sup −} combination, and (ii) in both (MoOCl{sub 5}){sup 2−} and (MoOBr{sub 5}){sup 2−} metallic complexes, the contributions to spin-Hamiltonian parameters due to CT mechanism should also be taken into account because of the high valence state of Mo{sup 5+} ion.

  2. Magnetic studies on hexahalorhenate(IV) salts of ferrocenium cations [Fe(C5R5)2]2[ReX6] (R = H, CH3; X = Cl, Br, I).

    Science.gov (United States)

    González, Ricardo; Chiozzone, Raúl; Kremer, Carlos; Guerra, Francesca; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan

    2004-05-01

    The hexahalorhenate(IV) salts of formula [Fe(C5H5)2]2[ReX6], with X = Cl (1), Br (2), and I (3), and [Fe(C5Me5)2]2[ReX6], with X = Cl (4), Br (5), and I (6) ([Fe(C5Me5)2]+ = decamethylferrocenium cation), have been synthesized and the structures of 1, 2, and 4 determined by single-crystal X-ray diffraction. 1, 2, and 4 crystallize in the orthorhombic system, space groups Pbca (1 and 2) and Ibam (4), with a = 14.099(2) A, b = 16.125(2) A, and c = 22.133(15) A, for 1, a = 14.317(3) A, b = 16.848(3) A, and c = 22.099(2) A for 2, and a = 15.8583(5) A, b = 15.9368(5) A, and c = 16.9816(6) A for 4. The three structures are made up of discrete [ReX6]2- anions and ferrocenium cations held together by electrostatic forces. There are anion-anion contacts in 1 and 2 but only through one direction. The [ReX6]2- octahedra are arranged along the y axis forming chains of Re and X atoms, -Re-X...X-Re-X...X-Re-, where the intermolecular X...X distances are shorter than the van der Waals distances. A somewhat greater separation between the anions occurs in 4. The magnetic properties of 1-6 were investigated in the temperature range 2.0-300 K. 1, 2, 4, and 5 exhibit an antiferromagnetic coupling between the anions, whereas a ferromagnetic coupling between anions and cations is the dominant interaction in 3. 6 behaves as a magnetically isolated compound, its susceptibility being the simple addition of the independent contributions of the uncoupled paramagnetic cations and anions.

  3. Evaluation of the levels of Br, Cl, K, Mg, Mn and V in Perna perna mussels (Linnaeus, 1758: Mollusca Bivalvia) collected in the coast of Sao Paulo state, Brazil

    International Nuclear Information System (INIS)

    The coastal environment has been heavily altered by multiple environmental impacts of human activities, such as disposal of sewage from urban areas, the release of numerous chemical industries, agriculture and the flow of vessels, which can lead to accidental spills of oil and oil products, fuels and other products transported by sea. In this context, a means of determining concentrations of these potentially toxic substances in the sea water is the biomonitoring by means of different types of bivalves, which have been used by various researchers, in Brazil and other countries. With regard to bivalve mollusks, particularly mussels, their use in monitoring the marine contamination is mainly due to their wide geographic distribution, sessile habit and ability to concentrate toxic metals to 102-105 times in relation to the concentrations detected in water. In the present study, we employed the passive biomonitoring using the Perna perna bivalve mollusk with respect to the elements Br, Cl, K, Mg, Mn and V. These elements were chosen since they can be determined by INAA method (Instrumental Neutron Activation Analysis), by means of short irradiation which provides faster analyzes and also due to their importance from the standpoint of environmental or nutritional studies. The aim of this study was to evaluate the content of Br, Cl, K, Mg, Mn and V in samples of Perna perna mussels (Linnaeus, 1758: Mollusca, Bivalvia) collected in coastal regions of São Paulo subject to anthropogenic contamination (Ponta de Itaipu and Palmas Island, in Santos), comparing the values obtained in sites potentially impacted with the values of the control site in Praia da Cocanha, in Caraguatatuba. The collection points located in São Paulo coast are located in the geographical areas 23º 37'S - 45° 24' W (Caraguatatuba) and 23º 57'S - 46º 20' W (Santos). The collection of organisms was performed in all seasons of the year, beginning in spring 2008 and ending in winter 2009. The samples

  4. A general synthetic route to [Cu(X)(NHC)] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes† †Electronic supplementary information (ESI) available: Optimisation details and full characterisation data. CCDC 940850–940853. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3cc45488f Click here for additional data file.

    Science.gov (United States)

    Santoro, Orlando; Collado, Alba; Slawin, Alexandra M. Z.; Nolan, Steven P.

    2013-01-01

    A one-pot procedure for the synthesis of [Cu(X)(NHC)] (X = Cl, Br, I) is reported. The reaction is applicable to a wide range of saturated and unsaturated NHC ligands, is scalable and proceeds under mild conditions using technical grade solvents in air. PMID:24087835

  5. Thermodynamics of the amalgam cells {Cs-amalgam|CsX (m)|AgX|Ag} (X=Cl, Br, I) and primary medium effects in (methanol+water) (acetonitrile+water), and (1,4-dioxane+water) solvent mixtures

    International Nuclear Information System (INIS)

    The potential difference E of the amalgam cell {CsxHg1-x|CsX (m)|AgX|Ag} (X=Cl, Br, I) has been measured as a function of the mole fraction xCs of Cs metal in amalgams and of the molality m of CsX in (methanol+water) (acetonitrile+water), and (1,4-dioxane+water) solvent mixtures containing up to 0.75 mass fraction of the organic component, at the temperature 298.15K. The respective standard molal potential differences Emo have been determined together with the relevant activity coefficients γ+/- as functions of the CsX molality. The found Emo values show a parabolic decrease with increasing proportion of the organic component in the solvent mixture. Analysis of the relevant primary medium effects upon CsX shows that the CsX transfer from the standard state in water to the standard state in the (aqueous+organic) mixture is always unfavoured, and the acetonitrile is the least unfavoured co-solvent studied. Analysis of the primary medium effect upon CsI in terms of Feakins and French's theory leads to a primary hydration number close to zero, which is consistent with the results of supplementary EXAFS experiments on Cs+ and I- in (acetonitrile+water) solvent mixtures

  6. First-principles study of the magnetic ground state and magnetization process of the kagome francisites Cu3Bi (SeO3)2 O2X (X =Cl ,Br )

    Science.gov (United States)

    Nikolaev, S. A.; Mazurenko, V. V.; Tsirlin, A. A.; Mazurenko, V. G.

    2016-10-01

    We explore the magnetic behavior of the kagome francisites Cu3Bi (SeO3)2 O2X (X =Cl ,Br ) by using first-principles electronic structure calculations. To this end, we propose an approach based on the effective Hubbard model in the Wannier functions basis constructed on the level of local-density approximation. The ground-state spin configuration is determined by a mean-field Hartree-Fock solution of the Hubbard model both in zero magnetic field and in applied magnetic fields. Additionally, parameters of an effective spin Hamiltonian are obtained by taking into account hybridization effects and spin-orbit coupling. We show that only the former approach based on the Hartree-Fock approximation allows for a complete description of the anisotropic magnetization process. While our calculations confirm that the canted zero-field ground state arises from a competition between ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor couplings in the kagome planes, weaker anisotropic terms are crucial for fixing spin directions and for the strong anisotropy of the magnetization. We show that the Hartree-Fock solution of an electronic Hamiltonian is a viable alternative to the analysis of effective spin Hamiltonians when magnetic ground states and their evolution in external field are concerned.

  7. Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei. II. Quantitative results in HX (X = H,F,Cl,Br,I) compounds.

    Science.gov (United States)

    Aucar, I Agustín; Gómez, Sergio S; Melo, Juan I; Giribet, Claudia C; Ruiz de Azúa, Martín C

    2013-04-01

    In the present work, numerical results of the nuclear spin-rotation (SR) tensor in the series of compounds HX (X = H,F,Cl,Br,I) within relativistic 4-component expressions obtained by Aucar et al. [J. Chem. Phys. 136, 204119 (2012)] are presented. The SR tensors of both the H and X nuclei are discussed. Calculations were carried out within the relativistic Linear Response formalism at the Random Phase Approximation with the DIRAC program. For the halogen nucleus X, correlation effects on the non-relativistic values are shown to be of similar magnitude and opposite sign to relativistic effects. For the light H nucleus, by means of the linear response within the elimination of the small component approach it is shown that the whole relativistic effect is given by the spin-orbit operator combined with the Fermi contact operator. Comparison of "best estimate" calculated values with experimental results yield differences smaller than 2%-3% in all cases. The validity of "Flygare's relation" linking the SR tensor and the NMR nuclear magnetic shielding tensor in the present series of compounds is analyzed. PMID:23574208

  8. Mechanisms of the acid catalysed bridge cleavage reactions of two trinuclear ruthenium(III) complex ions (Ru3(NH3)13(SCN)X2)6+, (X=Cl-, Br-)

    International Nuclear Information System (INIS)

    Acid catalysed bridge cleavage reaction of two doubly bridged trinuclear ions [Ru3(NH3)13(SCN)X2]6+, (X=Cl-, Br-) have been investigated at 59o in perchloric and nitric acid media respectively. Both the complexes show two stages of reaction. Plots of kobs versus [acid] are linear for both the complexes in the two stages of reactions. Only the plots for first stage have intercept on rate axis. The rate constants for the chloro and the bromo complexes for acid - dependent path are as follows : first stage 5.15 x 10-4 and 2.43 x 10-4 dm3 mol-1 s-1 and second stage 7.35 x 10-3 and 4.02 x 10-4 dm3 mol-1s-1 respectively. An associative mechanism has been invoked for the reactions in which bond formation by the incoming solvent (water) molecule with the middle ruthenium atom leads to rupture of bridging bonds. (author)

  9. Anticooperativity of FHF hydrogen bonds in clusters of the type F- × (HF)n, RF × (HF)n and XF × (HF)n, R = alkyl and X = H, Br, Cl, F

    Science.gov (United States)

    Kucherov, S. Yu.; Bureiko, S. F.; Denisov, G. S.

    2016-02-01

    Properties of twenty five hydrogen-bonded complexes, namely, F- × (HF)n (n = 1-6), RF × (HF)n (R = t-Bu, i-Pr, Et, Me; n = 1-3), XF × (HF)n (X = H, Br, Cl; n = 1-2), and FF…HF with the hydrogen bond energy varying in a wide range have been calculated using ab initio methods at the MP2/6-31++G** level. For the first time, the energies, geometrical parameters and vibrational frequencies are obtained for the series of clusters, where the bonding character changes from covalent to van der Waals on the variation of proton-acceptor ability of the base, and the energies are in the range of 45-1 kcal/mol. The mutual influence of multiple hydrogen bonds of F…HF type in clusters, in which a fluorine anion or an atom participates in hydrogen bond formation as the acceptor, is systematically investigated. The relative changes in the values of the considered parameters on the sequential addition of an HF molecule (anticooperativity) were determined. It was shown that non-additivity of the interaction is most strongly pronounced in the energy and vibrational frequency values, geometrical parameters of hydrogen bonds are less sensitive to the mutual influence. The anticooperative effect is more pronounced on the hydrogen bridge length R(F...F) than on the geometry of proton donor r(HF). The hydrogen bond formation and the increase of the number n of ligands lead to successive lengthening of the r(XF) bond adjacent to the hydrogen bridge. The length of an XF bond changes stronger on formation of each hydrogen bond than the HF bond length.

  10. Synthetic and 1H and 13C NMRSpectral Studies on N-(Mono-substitutedphenyl)- acetamides and Substituted Acetamides, 2/3/4-YC6H4NH-COCH3-iXi (Y = CH3, F, Cl, Br, NO2; X = Cl, CH3; i = 0, 1, 2, 3)

    Science.gov (United States)

    Gowda, Basavalinganadoddy Thimme; Lakshmipathy, Shilpa; Lakshmipathy, Jayalakshmi K.

    2006-11-01

    Nineteen N-(2/3/4-methyl/halo/nitro-phenyl)-acetamides and substituted acetamides, 2/3/4- YC6H4NH-CO-CH3-iXi (Y = CH3, F, Cl, Br or NO2; X = Cl or CH3 and i = 0, 1, 2 or 3), have been prepared, characterized, and their 1H and 13C NMR spectra in solution measured and correlated. 1H and 13C NMR chemical shifts were assigned to the protons and carbon atoms, respectively, in line with those for similar compounds. Since the chemical shifts are dependent on the electron density around the nucleus or associated with the atom to which it is bound, the incremental shifts of the aromatic protons or carbon atoms due to -NH-CO-CH3-iXi and -CO-CH3-iXi (X = Cl or CH3 and i = 0, 1, 2, 3) in all the N-phenyl-substituted acetamides, C6H5NH-CO-CH3-iXi, are calculated by comparing the proton or carbon chemical shifts of these compounds with those of benzene or aniline. The incremental shifts due to the groups in the parent compounds have also been computed by comparing the chemical shifts of the protons or carbon atoms in these compounds with those of benzene or aniline, respectively. The computed incremental shifts and other data were used to calculate the 1H and 13C NMR chemical shifts of the substituted compounds in three different ways. The calculated chemical shifts by the three methods compared well with each other and with the observed chemical shifts, testing the validity of the principle of additivity of the substituent effects in these compounds. The variation of 1H NMR chemical shifts of either the aromatic or N-H protons, with the substituents in N-(phenyl)- and N-(2/3/4-chloro/methylphenyl)-acetamides and substituted acetamides did not follow the same trend, while the variation of the 13C NMR chemical shifts of C-1 and C=O carbon atoms and those of alkyl carbon atoms of these compounds followed more or less the same trend.

  11. Cd4As2Br3

    Directory of Open Access Journals (Sweden)

    Mohammed Kars

    2014-03-01

    Full Text Available Single crystals of Cd4As2Br3 (tetracadmium biarsenide tribromide were grown by a chemical transport reaction. The structure is isotypic with the members of the cadmium and mercury pnictidohalides family with general formula M4A2X3 (M = Cd, Hg; A = P, As, Sb; X = Cl, Br, I and contains two independent As atoms on special positions with site symmetry -3 and two independent Cd atoms, of which one is on a special position with site symmetry -3. The Cd4As2Br3 structure consists of AsCd4 tetrahedra sharing vertices with isolated As2Cd6 octahedra that contain As–As dumbbells in the centre of the octahedron. The Br atoms are located in the voids of this three-dimensional arrangement and bridge the different polyhedra through Cd...Br contacts.

  12. NQR and X-ray crystal structure studies of cadmium halide complexes: [C(NH{sub 2}){sub 3}]CdI{sub 3} and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Gesing, Thorsten M.; Lork, Enno [Bremen Univ. (Germany). MAPEX Center for Material and Processes; Terao, Hiromitsu [Tokushima Univ. (Japan). Faculty of Integrated Arts and Sciences; Ishihara, Hideta [Saga Univ. (Japan). Faculty of Culture and Education

    2016-05-01

    The crystal structures of [C(NH{sub 2}){sub 3}]CdI{sub 3} (1) and [4-ClC{sub 6}H{sub 5}NH{sub 3}]{sub 3}CdBr{sub 5} (2) have been determined at 100 K: monoclinic, Cc, a = 828.75(3) pm, b = 1615.31(5) pm, c = 810.64(3) pm, and β = 106.5820(10) for 1; monoclinic, P2{sub 1}/c, a = 1486.93(5) pm, b = 794.31(3) pm, c = 2290.59(7) pm, and β = 99.6830(10) for 2. The structure of 1 has an infinite chain of anions consisting of [CdI{sub 4}] tetrahedra sharing two corners. The structure of 2 has an infinite chain of anions consisting of [CdBr{sub 6}] octahedra sharing two corners in cis positions. In both structures, isolated cations are connected to the anion chains through weak hydrogen bonds Cd-X..H to result in three-dimensional network structures. In accordance with the crystal structures, three {sup 127}I (m = ±1/2 <-> m = ±3/2), five {sup 81}Br, and three {sup 35}Cl nuclear quadrupole resonance (NQR) lines were observed for 1 and 2. The NQR spectra reflect the anion chain structures and their weak hydrogen bonds. The MO calculations of the models [Cd{sub 5}I{sub 16}]{sup 6-} for 1 and [Cd{sub 3}Br{sub 16}]{sup 10-} for 2 estimate only about half the values for the NQR frequencies but give accurate electric field gradient directions.

  13. Reactor BR2

    Energy Technology Data Exchange (ETDEWEB)

    Gubel, P

    2000-07-01

    The BR2 reactor is still SCK-CEN's most important nuclear facility. After an extensive refurbishment to compensate for the ageing of the installation, the reactor was restarted in April 1997. Various aspects concerning the operation of the BR2 Reactor, the utilisation of the CALLISTO loop and the irradiation programme, the BR2 R and D programme and the production of isotopes and of NTD-silicon are discussed. Progress and achievements in 1999 are reported.

  14. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and NMe2 byMonomeric [1,2,4-(Me3C)3C5H2]2CeH: Experimental and Computational Support for a Carbenoid Mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Werkema, Evan; Andersen, Richard; Yahia, Ahmed; Maron, Laurent; Eisenstein, Odile

    2009-05-15

    The reaction between [1,2,4-(Me3C)3C5H2]2CeH, referred to as Cp'2CeH, andCH3X where X is Cl, Br, I, OMe and NMe2, are described. The reactions fall intothree distinct classes. Class a, where X = Cl, Br and I rapidly form Cp'2CeX and CH4without formation of identifiable intermediates in the 1H NMR spectra. Class b, whereX = OMe proceeds rapidly to Cp'2Ce(eta2-CH2OMe) and H2 and then to Cp'2CeOMeand CH4. The methoxymethyl derivative is sufficiently stable to be isolated andcharacterized and it is rapidly converted to Cp'2CeOMe in presence of BPh3. Class c,where X = NMe2 does not result in formation of Cp'2CeNMe2, but deuterium labelingexperiments show that H for D exchange occurs in NMe3. Density functionalcalculations DFT(B3PW91) on the reaction of (C5H5)2CeH, referred to as Cp2CeH,and CH3X show that the barrier for alpha-CH activation, resulting in formation ofCp2Ce(eta2-CH2X), proceeds with a relatively low activation barrier (DeltaG++) but thesubsequent ejection of CH2 and trapping by H2 has a higher barrier; the height of thesecond barrier lies in the order F, Cl, Br, I< OMe<< NMe2, consistent with theexperimental studies. The DFT calculations also show that the two-step reaction,which proceeds through a carbenoid intermediate, has a lower barrier than a directone-step sigma bond metathesis mechanism. The reaction of Cp2CeCH2OMe and BPh3 is calculated to be a low barrier process and the ylide, CH2(+)BPh3(-), is a transition state and not an intermediate.

  15. The BR eigenvalue algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Geist, G.A. [Oak Ridge National Lab., TN (United States). Computer Science and Mathematics Div.; Howell, G.W. [Florida Inst. of Tech., Melbourne, FL (United States). Dept. of Applied Mathematics; Watkins, D.S. [Washington State Univ., Pullman, WA (United States). Dept. of Pure and Applied Mathematics

    1997-11-01

    The BR algorithm, a new method for calculating the eigenvalues of an upper Hessenberg matrix, is introduced. It is a bulge-chasing algorithm like the QR algorithm, but, unlike the QR algorithm, it is well adapted to computing the eigenvalues of the narrowband, nearly tridiagonal matrices generated by the look-ahead Lanczos process. This paper describes the BR algorithm and gives numerical evidence that it works well in conjunction with the Lanczos process. On the biggest problems run so far, the BR algorithm beats the QR algorithm by a factor of 30--60 in computing time and a factor of over 100 in matrix storage space.

  16. Thermal Variance Investigation and Scintillation Mechanisms of Cs2LiLaBr6-xClx:Ce (CLLBC) and Cs2LiYBr6:Ce (CLYB)

    Energy Technology Data Exchange (ETDEWEB)

    Coupland, Daniel David Schechtman [Los Alamos National Laboratory; Budden, Brent Scott [Los Alamos National Laboratory; Stonehill, Laura Catherine [Los Alamos National Laboratory

    2015-11-23

    We perform an investigation into the scintillation processes and performance of elpasolites Cs2LiLaBr6-xClx:Ce (CLLBC) and Cs2LiYBr6:Ce (CLYB) using a thermal cycle over a range of -20 to +50º C. At 10º increments, we acquire data with both a waveform digitizer and charge-integrating electronics. We identify decay components and evaluate decay times, thermal neutron gamma-equivalent energy (GEE), and pulse shape discrimination (PSD) performance. Results are compared to common Cs2LiYCl6:Ce (CLYC).

  17. Redetermination of tantalum pentabromide, (TaBr52

    Directory of Open Access Journals (Sweden)

    Katja Habermehl

    2010-09-01

    Full Text Available Crystals of di-μ-bromido-bis[tetrabromidotantalum(V], (TaBr52, were obtained by recrystallization at 773 K. A first crystal structure study of (TaBr52 was reported by Rolsten [J. Am. Chem. Soc. (1958, 80, 2952–2953], who analysed the powder diffraction pattern and came to the conclusion that it crystallizes isotypically with (NbBr52 in a primitive orthorhombic cell. These findings are not in agreement with our current results of a monoclinic C-centred structure. (TaBr52 is isotypic with α-(NbCl52. The crystal structure contains [TaBr6] octahedra sharing common edges forming [TaBr5]2 dimers. Two crystallographically independent dimers with symmetries m and 2/m and Ta...Ta distances of 4.1574 (11 and 4.1551 (15 Å, respectively, are present in the structure.

  18. Structure and Heats of Formation of Iodine Fluorides and the Respective Closed-Shell Ions from CCSD(T) Electronic Structure Calculations and Reliable Prediction of the Steric Activity of the Free-Valence Electron Pair in ClF₆⁻, BrF₆⁻, and IF₆⁻

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, David A.; Grant, Daniel J.; Christe, Karl O.; Peterson, Kirk A.

    2008-06-16

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. Atomization energies at 0 K and heats of formation at 0 and 298 K are predicted for IF, IF₂-, IF₂+, IF₃, IF₄-, IF₄+,IF₅, IF₆-, IF₆+, IF₇, IF₈-, BrF₆-, and ClF₆- from coupled cluster theory [CCSD(T)] calculations with effective-core potential correlation-consistent basis sets for I. In order to achieve near chemical accuracy (±1 kcal/mol), three corrections were added to the complete basis set binding energies based on frozen-core coupled-cluster theory energies: a correction for core-valence effects, a correction for scalar relativistic effects, and a correction for firstorder atomic spin-orbit effects. Vibrational zero-point energies were computed at the coupled-cluster level of theory except for IF₆-, IF₇, and IF₈-. The calculated heats of formation for the neutral and ionic IFn fluorides were used to predict fluoride affinities. It is shown that high-level calculations are required to predict correctly the steric activity of the free-valence electron pair on the central atoms in IF₆- (C₃v), BrF₆- (Oh), and ClF₆- (Oh). The vibrational spectrum of IF₈- was reanalyzed, and complete mode descriptions for square-antiprismatic XF₈ species of D₄d symmetry are given.

  19. Ammonium dynamics in the disordered alpha-phase of K sub 1 sub - sub x (NH sub 4) sub x Y (Y = Cl, Br, I). A neutron scattering study

    CERN Document Server

    Natkaniec, I; Smirnov, L S

    2002-01-01

    The effect of temperature and concentration on the lattice parameters and amplitude-weighted phonon density of states in mixed salts of ammonium-potassium halides is investigated by neutron powder diffraction and incoherent inelastic neutron scattering. In the disordered alpha-phase (NaCl type) ammonium ions exhibit a fast stochastic reorientation at phonon frequency rates down to ca. 80 K. At 10 K, the incoherent inelastic neutron scattering spectra display four distinct ammonium excitations: two (resonant) modes below and two (localized) above the Debye cut-off energy of potassium halides. High-frequency localized modes correspond to translational and librational vibrations of NH sub 4 ions. These modes are typical for the ordered phases of ammonium halides. The effect of ammonium concentration on localized and resonant modes is studied for the K sub 1 sub - sub x (NH sub 4) sub x I mixed salts. The harmonic excitations of ammonium in a hypothetical low-temperature alpha-phase of NH sub 4 I are approximated...

  20. Reactor BR2. Introduction

    International Nuclear Information System (INIS)

    The BR2 is a materials testing reactor and is still one of SCK-CEN's important nuclear facilities. After an extensive refurbishment to compensate for the ageing of the installation, the reactor was restarted in April 1997. During the last three years, the availability of the installation was maintained at an average level of 97.6 percent. In the year 2000, the reactor was operated for a total of 104 days at a mean power of 56 MW. In 2000, most irradiation experiments were performed in the CALLISTO PWR loop. The report describes irradiations achieved or under preparation in 2000, including the development of advanced facilities and concept studies for new programmes. An overview of the scientific irradiation programmes as well as of the R and D programme of the BR2 reactor in 2000 is given

  1. Reactor BR2. Introduction

    Energy Technology Data Exchange (ETDEWEB)

    Gubel, P

    2002-04-01

    The BR2 materials testing reactor is one of SCK-CEN's most important nuclear facilities. After an extensive refurbishment to compensate for the ageing of the installation, the reactor was restarted in April 1997. In 2001, the reactor was operated for a total of 123 days at a mean power of 59 MW in order to satisfy the irradiation conditions of the internal and external programmes using mainly the CALLISTO PWR loop. The mean consumption of fresh fuel elements was 5.26 per 1000 MWd. Main achievements in 2001 included the development of a three-dimensional full-scale model of the BR2 reactor for simulation and prediction of irradiation conditions for various experiments; the construction of the FUTURE-MT device designed for the irradiation of fuel plates under representative conditions of geometry, neutron spectrum, heat flux and thermal-hydraulic conditions and the development of in-pile instrumentation and a data acquisition system.

  2. Reactor BR2. Introduction

    Energy Technology Data Exchange (ETDEWEB)

    Gubel, P

    2001-04-01

    The BR2 is a materials testing reactor and is still one of SCK-CEN's important nuclear facilities. After an extensive refurbishment to compensate for the ageing of the installation, the reactor was restarted in April 1997. During the last three years, the availability of the installation was maintained at an average level of 97.6 percent. In the year 2000, the reactor was operated for a total of 104 days at a mean power of 56 MW. In 2000, most irradiation experiments were performed in the CALLISTO PWR loop. The report describes irradiations achieved or under preparation in 2000, including the development of advanced facilities and concept studies for new programmes. An overview of the scientific irradiation programmes as well as of the R and D programme of the BR2 reactor in 2000 is given.

  3. C6H6/C2H2…(HX)2(X=F,Cl,Br,I)分子间相互作用研究%Research on the interaction between molecules of C6H6/C2H2···(HX)2

    Institute of Scientific and Technical Information of China (English)

    阳杰; 叶青; 肖扬; 赵培培; 张霞; 李少波; 叶朗; 席小倩

    2015-01-01

    采用从头算MP2方法,对乙炔分子中的π键与(HX)2(X=F,Cl,Br,I)形成的典型X-H···π键复合物进行了系统的研究,并对构建的复合物结构、相互作用能和BSSE进行了优化计算,对计算结果在结构、分子间相互作用能等参数进行分析,最后对C6H6中的π键与(HCl)2形成的典型X-H…π键复合物进行计算研究,并比较炔烃和芳香烃中的两种π键与卤化氢形成的复合物在氢键性质差异。研究结果表明,C2H2···(HX)2复合物体系随着卤素原子序数的递增,结构参数都出现了周期性增加,复合物的相互作用能在整体上呈现减小的总趋势;C6H6···(HCl)2复合物相互作用明显强于C2H2···(HCl)2复合物。%Applyingab initio theoretical MP2 method studies on the complex of C2H2 and(HX)2(X=F,Cl,Br,I),which formed by X-H···π bond.They optimized the complexes,then,calculated the BSSE and the binding energy of different systems, analysis the calculation results in the geometry, intermolecular interaction energy parameters, and finally the typicalπ bond ofC6H6molecule and (HCl)2 form ofX-H···π bond complexes have been studied, composites and compare alkyne to aromatic hydrocarbon twoπ bond with a hydrogen halide formed by the difference in the nature of hydrogen bonding.The results demonstrated that C2H2···(HX)2,with increasing halogen atomic number,from HF to HI,the bond length have all increasing,however,the binding energy of complex and X-H···π interaction present in the overall decreasing trend, correspondingX-H···πinteraction weakened;C6H6···(HCl)2 complex interaction was stronger than C2H2···(HCl)2 complex.

  4. BR2 Reactor: Introduction

    International Nuclear Information System (INIS)

    The irradiations in the BR2 reactor are in collaboration with or at the request of third parties such as the European Commission, the IAEA, research centres and utilities, reactor vendors or fuel manufacturers. The reactor also contributes significantly to the production of radioisotopes for medical and industrial applications, to neutron silicon doping for the semiconductor industry and to scientific irradiations for universities. Along the ongoing programmes on fuel and materials development, several new irradiation devices are in use or in design. Amongst others a loop providing enhanced cooling for novel materials testing reactor fuel, a device for high temperature gas cooled fuel as well as a rig for the irradiation of metallurgical samples in a Pb-Bi environment. A full scale 3-D heterogeneous model of BR2 is available. The model describes the real hyperbolic arrangement of the reactor and includes the detailed 3-D space dependent distribution of the isotopic fuel depletion in the fuel elements. The model is validated on the reactivity measurements of several tens of BR2 operation cycles. The accurate calculations of the axial and radial distributions of the poisoning of the beryllium matrix by 3He, 6Li and 3T are verified on the measured reactivity losses used to predict the reactivity behavior for the coming decades. The model calculates the main functionals in reactor physics like: conventional thermal and equivalent fission neutron fluxes, number of displacements per atom, fission rate, thermal power characteristics as heat flux and linear power density, neutron/gamma heating, determination of the fission energy deposited in fuel plates/rods, neutron multiplication factor and fuel burn-up. For each reactor irradiation project, a detailed geometry model of the experimental device and of its neighborhood is developed. Neutron fluxes are predicted within approximately 10 percent in comparison with the dosimetry measurements. Fission rate, heat flux and

  5. Dynamic and static behavior of hydrogen bonds of the X-H···π type (X = F, Cl, Br, I, RO and RR'N; R, R' = H or Me) in the benzene π-system, elucidated by QTAIM dual functional analysis.

    Science.gov (United States)

    Sugibayashi, Yuji; Hayashi, Satoko; Nakanishi, Waro

    2015-11-21

    Dynamic and static behavior of the X-H-*-π interactions in X-H-*-π(C6H6) (X = F, Cl, Br, I, HO, MeO, H2N, MeHN and Me2N) is elucidated by QTAIM-DFA (QTAIM dual functional analysis), which we proposed recently, as the first step to clarify various types of X-H-*-π interactions. The asterisk * emphasizes the existence of the bond critical point (BCP) on the interaction in question. Total electron energy densities (H(b)(r(c))) are plotted versus H(b)(r(c)) - V(b)(r(c))/2 [=(ℏ(2)/8m)∇(2)ρ(b)(r(c))] at BCPs in QTAIM-DFA, where V(b)(r(c)) are potential energy densities at BCPs. In our treatment, data for the perturbed structures around the fully optimized ones are employed, in addition to those for the fully optimized structures. Data from the fully optimized structures are analyzed by the polar coordinate (R, θ) representation. Each plot for an interaction, containing data from the perturbed structures, shows a specific curve, which provides important information. The plot is expressed by (θ(p), κ(p)): θ(p) corresponds to the tangent line of the plot and κ(p) is the curvature. θ and θ(p) are measured from the y-axis and the y-direction, respectively. While (R, θ) correspond to the static nature, (θ(p), κ(p)) represent the dynamic nature of interactions. The nature of the X-H-*-π(C6H6) interactions is well specified by (R, θ) and (θ(p), κ(p)). All interactions, examined in this work, are classified by the pure closed shell interactions and predicted to have the van der Waals nature.

  6. 3c/4e [small sigma, Greek, circumflex]-type long-bonding competes with ω-bonding in noble-gas hydrides HNgY (Ng = He, Ne, Ar, Kr, Xe, Rn; Y = F, Cl, Br, I): a NBO/NRT perspective.

    Science.gov (United States)

    Zhang, Guiqiu; Li, Hong; Weinhold, Frank; Chen, Dezhan

    2016-03-21

    Noble-gas hydrides HNgY are frequently described as a single ionic form (H-Ng)(+)Y(-). We apply natural bond orbital (NBO) and natural resonance theory (NRT) analyses to a series of noble-gas hydrides HNgY (Ng = He, Ne, Ar, Kr, Xe, Rn; Y = F, Cl, Br, I) to gain quantitative insight into the resonance bonding of these hypervalent molecules. We find that each of the studied species should be better represented as a resonance hybrid of three leading resonance structures, namely, H-Ng(+ -):Y (I), H:(- +)Ng-Y (II), and H^Y (III), in which the "ω-bonded" structures I and II arise from the complementary donor-acceptor interactions nY → σ*HNg and nH → σ*NgY, while the "long-bond" ([small sigma, Greek, circumflex]-type) structure III arises from the nNg → [small sigma, Greek, circumflex]*HY/[small sigma, Greek, circumflex]HY interaction. The bonding for all of the studied molecules can be well described in terms of the continuously variable resonance weightings of 3c/4e ω-bonding and [small sigma, Greek, circumflex]-type long-bonding motifs. Furthermore, we find that the calculated bond orders satisfy a generalized form of "conservation of bond order" that incorporates both ω-bonding and long-bonding contributions [viz., (bHNg + bNgY) + bHY = bω-bonding + blong-bonding = 1]. Such "conservation" throughout the title series implies a competitive relationship between ω-bonding and [small sigma, Greek, circumflex]-type long-bonding, whose variations are found to depend in a chemically reasonable manner on the electronegativity of Y and the outer valence-shell character of the central Ng atom. The calculated bond orders are also found to exhibit chemically reasonable correlations with bond lengths, vibrational frequencies, and bond dissociation energies, in accord with Badger's rule and related empirical relationships. Overall, the results provide electronic principles and chemical insight that may prove useful in the rational design of noble-gas hydrides of

  7. Thallium bromide chloride (TlBrxCl1-x) nuclear radiation detector

    International Nuclear Information System (INIS)

    Thallium bromide (TlBr) has been studied as an X- and gamma-ray detector material and relatively good spectrometric performances have been obtained from the detectors. However, the energy resolution of the TlBr detectors is limited by the relatively low resistivity of the crystals. Thallium bromide chloride (TlBrxCl1-x) is a mixed crystal of TlBr and thallium chloride (TlCl). TlBr0.8Cl0.2 crystals have been grown by the traveling molten zone method (TMZ) from purified materials. Nuclear radiation detectors have been fabricated from the grown TlBr0.8Cl0.2 crystals and the detector performance has been characterized. Optical transmittance was evaluated in order to characterize bandgap of the grown crystal. The results confirm that the bandgap of TlBr0.8Cl0.2 is wider than the bandgap of TlBr. Leakage currents of the detectors were measured as a function of the bias voltage at room temperature. The resistivity of the TlBr0.8Cl0.2 detector is approximately equal to the resistivity of typical TlBr detector. A TlBr0.8Cl0.2 detector operated at room temperature was irradiated with gamma-rays from 137Cs source. The detector exhibited a clear peak corresponding 662 keV gamma-rays. The resolution obtained by the TlBr0.8Cl0.2 detector, however, was presently not better than the resolution obtained by the typical TlBr detector. (M. Suetake)

  8. Transition probabilities of Br II

    Science.gov (United States)

    Bengtson, R. D.; Miller, M. H.

    1976-01-01

    Absolute transition probabilities of the three most prominent visible Br II lines are measured in emission. Results compare well with Coulomb approximations and with line strengths extrapolated from trends in homologous atoms.

  9. Radiochemical solar neutrino experiment using 81Br(nu, e-)81Kr

    International Nuclear Information System (INIS)

    Both geochemical and radiochemical experiments based on the interaction 81Br(nu,e-)81Kr to detect 7Be solar neutrinos have been suggested as a logical extension of the 37Cl experiment of Davis et al. The 81Br experiment, however, requires the development of a direct counter for the slowly decaying 81Kr. Progress toward such a detector based on Resonance Ionization Spectroscopy (RIS) is discussed

  10. Sepp, Brüder

    OpenAIRE

    2009-01-01

    Vater der Brüder war Johann S. (* 24.6.1626 Kaltern/Südtirol [Caldaro/I], † zw. 1679/84 Schlanders/Südtirol [Silandro/I]). Paul (Paolo): * 1649 Kaltern/Südtirol (Caldaro/I), † April 1670 Bozen/Südtirol (Bolzano/I) oder 1692 Kaltern. Sänger, Komponist, Organist.

  11. Underground-brändien rakentuminen

    OpenAIRE

    Hänninen, Johanna

    2010-01-01

    Markkinajohtajuudesta eri toimialoilla taistelevat usein suuret ja kauan toiminnassa olleet brändit, joiden haastaminen saattaa olla vaikeaa. Brändinrakennus kannattaakin suunnata näiden suurien brändien väliin jääviin tyhjiin markkinarakoihin. Yksi esimerkki tällaisesta hyvin hyödynnetystä markkinaraosta ovat underground-brändit, joiden brändinrakennuksen lähtökohtana ei ole kilpailla toimialan suurien brändien kanssa, vaan hallita omaa markkinarakoaan kohdennetulla tarjonnallaan. Niiden tav...

  12. Magnetic dilution in the cadmium-doped spin ladder compound Cdx Cu1 - x (quinoxaline) Br2

    Science.gov (United States)

    Keith, Brian; Landee, Chris; Turnbull, Mark

    2011-03-01

    Both Cu (quinoxaline) (Br2) and Cu (quinoxaline) (Cl2) are examples of molecule-based magnets where the CuX4 dimers are linked into ladders by quinoxaline molecules, where X is either Cl or Br. The rung exchange occurs through the bridging halides while the rail exchange occurs through the quinoxaline rings. Introducing random rung interactions into the system [ Cu (quinoxaline) (Br2)1-x (Cl2)x ] has caused the spin gap to close, in contrast with the gapped pure spin ladder parents. Crystal growth of non-magnetic-doped molecular magnets, CdxCu1 - x (2 , 3 - dimethylpyrazine)Br2 , have been performed for several values of the nominal conentration, x, and have been confirmed. The magnetizations and susceptibilities of the magnetically diluted ladder assemblage are presented along with a comparison of the effects of dilution from the pure case (x=0).

  13. Gas-Phase Reactions of (n, γ) and Isomeric Transition-Activated Br80 with Alkanes and Haloalkanes

    International Nuclear Information System (INIS)

    Experimental data are presented on the gas-phase reactions of alkanes and haloalkanes with bromine atoms and ions activated by nuclear transformations. The target molecules include CH4 CD4, C2H6, C2D6, CH3Cl, CH2Cl2, CHCI3, CCl4, CH2F2, CHF3, CF4, C2F6, CF3Br, and CH3Br. The nuclear reactions and transformations used in producing the energetic recoil atoms and ions were Br80m (isomeric transition), Br80, and Br79 (n, γ) Br80. The percentage of the radioactivity found in organic combination (the organic yield, O. Y.) was determined as a function of the concentration of the target molecule in the mole-fraction range of about 0.95 to 1.00. Elemental Br2 served both as a source of hot atoms and as a scavenger. Usually 20-50 separate samples of each reaction system were examined and the data of O.Y. as a function of the concentration of scavenger were plotted and extrapolated to unit mole fraction of target molecule. In all cases, die O.Y. decreased with increasing halogen concentration. Data on the (n, γ) activated reactions of Br80 with isotopic alkanes suggest a comparable extrapolated O.Y. for C2H6 and C2D6, but an O.Y. for CD4 about half of the O.Y. with CH4. Gas chromatographic analysis of the organic products indicates that about 90% of the O.Y. in CH4 is caused by CH3Br and 10% by CH2Br2 For CD4 as the target the distribution of organic activity is approx. 75% CD3Br and 25% CD2Br2. These various data are discussed in terms of possible mechanisms involving hot halogen atoms and ions

  14. Yrityksen brändin uudistaminen

    OpenAIRE

    Saarimaa, Petri

    2015-01-01

    Brändin rakentaminen on tänä päivänä tärkeä osa yrityksen näkyvyyden ja kilpailukyvyn edistämisessä. Huolellisesti rakennetulla brändillä ja hyvällä markkinoinnilla yritys voi erottua kilpailijoistaan positiivisesti. Tie menestyvään brändiin on kuitenkin pitkä prosessi. Toimeksiantajana opinnäytetyössä toimi rakennusyritys Rakennus Vuoriot Oy. Opinnäytetyön tavoitteena oli toteuttaa yritykselle brändin uudistaminen luomalla kokonaan uusi perusta ja rakennusosat olemassa olevalle brändille...

  15. BR2 reactor neutron beams

    International Nuclear Information System (INIS)

    The use of reactor neutron beams is becoming increasingly more widespread for the study of some properties of condensed matter. It is mainly due to the unique properties of the ''thermal'' neutrons as regards wavelength, energy, magnetic moment and overall favorable ratio of scattering to absorption cross-sections. Besides these fundamental reasons, the impetus for using neutrons is also due to the existence of powerful research reactors (such as BR2) built mainly for nuclear engineering programs, but where a number of intense neutron beams are available at marginal cost. A brief introduction to the production of suitable neutron beams from a reactor is given. (author)

  16. Ozone Depletion Potential of CH3Br

    Science.gov (United States)

    Sander, Stanley P.; Ko, Malcolm K. W.; Sze, Nien Dak; Scott, Courtney; Rodriquez, Jose M.; Weisenstein, Debra K.

    1998-01-01

    The ozone depletion potential (ODP) of methyl bromide (CH3Br) can be determined by combining the model-calculated bromine efficiency factor (BEF) for CH3Br and its atmospheric lifetime. This paper examines how changes in several key kinetic data affect BEF. The key reactions highlighted in this study include the reaction of BrO + H02, the absorption cross section of HOBr, the absorption cross section and the photolysis products of BrON02, and the heterogeneous conversion of BrON02 to HOBR and HN03 on aerosol particles. By combining the calculated BEF with the latest estimate of 0.7 year for the atmospheric lifetime of CH3Br, the likely value of ODP for CH3Br is 0.39. The model-calculated concentration of HBr (approximately 0.3 pptv) in the lower stratosphere is substantially smaller than the reported measured value of about I pptv. Recent publications suggested models can reproduce the measured value if one assumes a yield for HBr from the reaction of BrO + OH or from the reaction of BrO + H02. Although the DeAlore et al. evaluation concluded any substantial yield of HBr from BrO + HO2 is unlikely, for completeness, we calculate the effects of these assumed yields on BEF for CH3Br. Our calculations show that the effects are minimal: practically no impact for an assumed 1.3% yield of HBr from BrO + OH and 10% smaller for an assumed 0.6% yield from BrO + H02.

  17. Numerical study of capacitive coupled HBr/Cl2 plasma discharge for dry etch applications

    Science.gov (United States)

    Gul, Banat; Ahmad, Iftikhar; Zia, Gulfam; Aman-ur-Rehman

    2016-09-01

    HBr/Cl2 plasma discharge is investigated to study the etchant chemistry of this discharge by using the self-consistent fluid model. A comprehensive set of gas phase reactions (83 reactions) including primary processes such as excitation, dissociation, and ionization are considered in the model along with 24 species. Our findings illustrate that the densities of neutral species (i.e., Br, HCl, Cl, H, and H2) produced in the reactor are higher than charged species (i.e., Cl2+, Cl-, HBr+, and Cl+). Density profile of neutral and charged species followed bell shaped and double humped distributions, respectively. Increasing Cl2 fraction in the feedback gases (HBr/Cl2 from 90/10 to 10/90) promoted the production of Cl, Cl+, and Cl2+ in the plasma, indicating that chemical etching pathway may be preferred at high Cl-environment. These findings pave the way towards controlling/optimizing the Si-etching process.

  18. Phase diagram of the CsBr-CaBr2 system

    Institute of Scientific and Technical Information of China (English)

    BAO Xinhua; CHEN Nianyi; LU Wencong; CHENG Zhixuan; LUO Yunyun; LU Weiying; XIA Yiben

    2006-01-01

    The phase diagram of the CsBr-CaBr2 system was re-determined by using differential thermal analysis and high temperature and room temperature X-ray diffraction analysis. It is concluded that there are three intermediate compounds in this system: a congruently melting compound, CsCaBr3, with a melting point of 823℃ and two incongruently melting compounds, Cs2CaBr4 and Cs3Ca2Br7, whose peritectic points being 597℃ and 635℃, respectively. X-ray diffraction analysis indicated that compound CsCaBr3 is of slightly distorted perovskite structure.

  19. Miten brändi säilyttää brändiarvonsa?

    OpenAIRE

    Sara, Maria

    2015-01-01

    Tässä opinnäytetyössä tarkasteltiin brändiä ja sen ylläpitämistä. Tavoitteena oli selvittää, miten brändi voi säilyttää jo saavuttamansa brändiarvon. Brändillä tarkoitetaan tavaramerkin ympärille muodostunutta positiivista mielikuvaa. Yrityksen kannalta brändi on kilpailukeino. Vahvan brändin etuja yritykselle ovat esimerkiksi uskolliset asiakkaat, haluttavuus yhteistyökumppanina ja kiinnostavuus työnantajana. Aihe valittiin työn tekijän oman kiinnostuksen perusteella. Aihetta tarkastelti...

  20. Heavy Halogen (Br, I) Injections into the Stratosphere from Large Explosive Volcanic Eruptions: Information from Melt Inclusions

    Science.gov (United States)

    Hansteen, T. H.; Kutterolf, S.; Freundt, A.; Frische, M.; Wehrmann, H.; Schmincke, H.; Kluegel, A.

    2008-12-01

    Large explosive volcanic eruptions inject gases, aerosols and ash into the stratosphere, thus influencing stratospheric chemistry and the Earth´s radiation budget. Such periodic injections cause turbulent mixing which enhance chemical reactions. Reactive species responsible for catalytic ozone depletion following large eruptions include not only chlorine (Cl), but also the heavy halogens bromine (Br) and iodine (I) occurring in trace amounts in volcanic plumes. Due to the higher catalytic potential for ozone destruction of Br and I than of Cl, even trace amounts of these elements in volcanic emissions are relevant for stratospheric chemistry. We have analysed halogens in volcanic glasses and in glass inclusions in phenocrysts using electron microprobe and Synchrotron-XRF microprobe methods. Halogens from bulk glass samples were extracted using pyrohydrolysis, and analysed by ICP-MS. Eruptions investigated include Baitoushan, China /North Korea (ca. 969 AD), Mt. Hudson, Chile (1991), and several dacitic Quaternary eruptions from Nicaragua. Chlorine concentrations in glass inclusions are typically 2000 to 4000 ppm, which is on average about 50 percent higher than the concentrations in the matrix glasses. Br concentrations in glass inclusions are typically in the range of 2 to 20 ppm. This gives an average Cl/ Br ratios of about 300:1. Using the petrologic method, involving the concentration differences of halogens between the glass inclusion and those retained in the matrix glass, the average Cl/ Br ratio of the volcanic emissions were about 200:1 Typical I concentrations of Nicaraguan glass inclusions range between 1 and 3 ppm. The resulting Cl/ I ratio of eruptive emissions is about 1100:1. Depending on eruption size, each large event injected between several kt and several hundred kt Br and I into the atmosphere. As a first approach to estimate global Br and I fluxes from subduction zones, although affected by several sources of uncertainty, we combine these

  1. Punkaliven brändiohjeisto

    OpenAIRE

    Vikiö, Timo

    2010-01-01

    Tässä opinnäytetyössä käsitellään brändiohjeiston rakentamista pk-yritys Punkalivelle, joka valmistaa designkalusteita ja paviljonkeja Finnforestin kehittämästä Kerto®-puumateriaalista. Yrityksen strategisena lähtökohtana on ollut rakentaa uutta yritys-trendiä, joka ottaa huomioon nykypäivän vaativan kuluttajan ja on kiinnostunut kestä-vän kehityksen arvoista. Opinnäytetyön tavoitteena on ollut kartoittaa kestävän kehityksen käsitettä, siihen liit-tyviä tekijöitä niin viestinnässä kuin mu...

  2. Laser Pyrolysis of CH3Br

    OpenAIRE

    Chang, Hua,; Hsieh, Jang Ching

    1993-01-01

    Laser pyrolysis of CH3Br by a strong laser irradiation was studied in this work. Besides a fine needle of solid carbon was deposited at the surface on the substrate, HBr and CH4, were found as gaseous products with a ratio of 2:1. Small amount of C2H2 was also detected. The variation in the pressures of CH3Br, HBr and CH4 were measured by Raman spectroscopy. It indicated that the decomposition of CH3Br was first order with respect to CH3Br. The reaction mechanism of the laser pyrolysis was su...

  3. Effect of NaCl on thermophilic (55°C) methanol degradation in sulfate reducing granular sludge reactors

    NARCIS (Netherlands)

    Vallero, M.V.G.; Hulshoff Pol, L.W.; Lettinga, G.; Lens, P.N.L.

    2003-01-01

    The effect of NaCl on thermophilic (55degreesC) methanol conversion in the presence of excess of sulfate (COD/SO42-=0.5) was investigated in two 6.5L lab-scale upflow anaerobic sludge bed reactors inoculated with granular sludge previously not adapted to NaCl/>The effect of NaCl on thermophilic (

  4. Sokos Herkun brändimielikuva nuorten silmissä brändiarvojen perusteella mitattuna

    OpenAIRE

    Lappalainen, Sanna

    2016-01-01

    Tämä opinnäytetyö tehtiin Tampereen keskustassa sijaitsevalle Sokos Herkku ruokakaupalle. Opinnäytetyöni käsittelee brändin rakentamista ja brändimielikuvan muodostumista. Teoriaosiossa käydään läpi brändin rakentaminen brändi-identiteetin luomisesta brändin johtamiseen brändipääomalla. Teoriaosiossani katsotaan brändiä myös palvelubrändin näkökulmasta, sillä elintarvikekaupat ovat yhä kasvavassa määrin palveluyrityksiä. Tutkimuksen tavoitteena oli kehittää Sokos Herkun brändimielikuvaa n...

  5. Tapahtumamarkkinointi brändin vahvistamisen tukena

    OpenAIRE

    Kähkönen, Nea

    2014-01-01

    Opinnäytetyö on toimeksianto Yritys X:ltä. Tutkimuksen tavoitteena on selvittää, miten hyvin järjestetty tapahtuma tukee brändiä. Lisäksi tutkimuksella pyritään selvittämään, oliko järjestetty tapahtuma onnistunut, ja miten sitä voisi kehittää. Teoreettinen viitekehys on rakennettu pitkälti brändi-identiteetin suunnittelun mallin mukaiseksi. Teoriassa käsitellään brändin rakentamista lähtien analyyseistä, brändi-identiteetin muodostamiseen, brändin tunnettuuden luomiseen, positiointiin ja...

  6. Conductivities of AlCl3/Ionic Liquid Systems and Their Application in Electrodeposition of Aluminium

    Institute of Scientific and Technical Information of China (English)

    岳贵宽; 吕兴梅; 朱艳丽; 王慧; 张香平; 张锁江

    2008-01-01

    Solubilities and conduetivities of anliydrons AlCl3 in six kinds of ionic liquids (ILs) were measured. Among the sixkinds of ILs [bmim]Cl, [bmim]Br, [bmim]BF4, [bmim]PF6, [emim][EtSO4] and [bmim][HSO4], anhydrous AlCl3 could bedissolved in the first five kinds but was hardly dissolved in [bmim][HSO4]. The results showed that the nominal solubilities ofAlCl3 in ILs increased in the order of [bmim][HSO4] < [bmim]PF6 < [emim][EtSO4] <[bmim]BF4<[bmim]Cl<[bmim]Br.Conduetivities of the AlCl3/ILs systems depended apparently on the nominal molar ratio of AlCl3 to ILs. The conduetivities ofAlCl3/[bmim]Cl, AlCl3/[bmim]Br and AlCl3/[bmim]PF6 systems had a similar tendency as a fimetion of the nominal molarratio, that is, as the molar ratio was increased, conductivities increased first and then decreased, with the maximumconductivity obtained at approximately 0.9:1, 1.0:1 and 0.5:1, respectively. Conduetivities of the AlCl3/[bmim]BF4 exhibited adentate change and decreased with the molar ratio of AlCl3 to [bmim]BF4 increasing in general. With the increasing of theanhydrous AlCl3 amount in [emim][EtSO4], conductivity of AlCl3/[emim][EtSO4] monotonically decreased. AlCl3/[bmim]Clsystem was chosen as the electrolyte for the electrodeposition of Al. Preliminary experimental results showed that dense,adherent and homogeneous Al coatings could be electrodeposited on stainless steel by means of constant potential techniqueand the surface coverage was quite satisfactory.

  7. Lastnosti lesa bršljana

    OpenAIRE

    Merhar, Klemen

    2014-01-01

    Raziskali smo tiste izbrane lastnosti lesa navadnega bršljana (Hedera helix L.), ki bi utegnile predvideti njegovo uporabo. Raziskali smo anatomsko zgradbo in makroskopske posebnosti, vlažnost v svežem stanju, gostoto, anizotropijo krčenja in nabrekanja, kazalnike dimenzijske stabilnosti ter tlačno in upogibno trdnost bršljanovega lesa. Raziskava je pokazala, da bršljanov les spada med polvenčasto porozne drevesne vrste. Gostota absolutno suhega lesa je 522 kg/m3. Vlažnost svežega lesa, ki jo...

  8. Performance tests of a large volume cerium tribromide (CeBr3) scintillation detector.

    Science.gov (United States)

    Naqvi, A A; Khiari, F Z; Liadi, F A; Khateeb-Ur-Rehman; Isab, A A

    2016-08-01

    The response of a large cylindrical 76mm×76mm (height×diameter) cerium tribromide (CeBr3) detector was measured for prompt gamma rays. The total intrinsic activity of the CeBr3 detector, which was measured over 0.33-3.33MeV range, was found to be 0.022±0.001 counts/s/cm(3). The partial intrinsic activity ( due to (227)Ac contamination), was measured over a energy range of 1.22-2.20MeV energy, was found to be 0.007±0.001 counts/s/cm(3). Compared to intrinsic activities of LaBr3:Ce and LaCl3:Ce detectors of equivalent volume, the CeBr3 detector has 7-8 times less total intrinsic activity. The detector response for low energy prompt gamma rays was measured over 0.3-0.6MeVgamma energy range using a portable neutron generator-based Prompt Gamma Neutron Activation Analysis (PGNAA) setup. The experimental yield of boron, cadmium and mercury prompt gamma-rays was measured from water samples contaminated with 0.75-2.5wt% mercury, 0.31-2.50wt% boron, and 0.0625-0.500wt% cadmium, respectively. An excellent agreement has been observed between the calculated and experimental yields of the gamma rays. Also minimum detection limit (MDC) of the CeBr3 detector was measured for boron, cadmium and mercury samples. The CeBr3 detector has 23% smaller value of MDCB and 18% larger value of MDCCd than those of a LaBr3:Ce detector of equivalent size. This study has shown that CeBr3 detector has an excellent response for the low energy prompt gamma-rays with almost an order of magnitude low intrinsic activity as compared to LaCl3:Ce and LaBr3:Ce detectors of equivalent volume. PMID:27180221

  9. Inhibition of Ps Formation in Benzene and Cyclohexane by CH3CI and CH3Br

    DEFF Research Database (Denmark)

    Wikander, G.; Mogensen, O. E.; Pedersen, Niels Jørgen

    1983-01-01

    of the inhibition of Ps formation by CH3Br was ten times that of CH3Cl in cyclohexane, because the CH3Br− anion debrominates rapidly, while CH3Cl− is long-lived (= 30 ns) compared to the maximum time of Ps formation of 400–500 ps. as shown in radiation chemistry. The positron can pick off the electron from the CH3X...

  10. Brändimielikuvia kosmetiikan markkinoilla : Cliniquen brändimielikuva

    OpenAIRE

    Pitkä, Nea

    2014-01-01

    Tämän opinnäytetyön tarkoituksena oli selvittää, millainen Cliniquen brändimielikuva on kuluttajien kokemana. Clinique on suurimpia kosmetiikkabrändejä selektiivisen kosmetiikan markkinoilla. Yhdysvaltalaisella Cliniquella on omalaatuinen kliininen imago kilpailijoihinsa nähden, joten brändistä muotoutunutta mielikuvaa tutkittiin sen pohjalta. Toinen selvityksen kohde oli Cliniquen brändimielikuvan vaikutus ostopäätökseen. Työssä käsiteltiin laajasti brändin määritelmää ja olennaisimpia t...

  11. CsPbBr3 nanocrystal saturable absorber for mode-locking ytterbium fiber laser

    Science.gov (United States)

    Zhou, Yan; Hu, Zhiping; Li, Yue; Xu, Jianqiu; Tang, Xiaosheng; Tang, Yulong

    2016-06-01

    Cesium lead halide perovskite nanocrystals (CsPbX3, X = Cl, Br, I) have been reported as efficient light-harvesting and light-emitting semiconductor materials, but their nonlinear optical properties have been seldom touched upon. In this paper, we prepare layered CsPbBr3 nanocrystal films and characterize their physical properties. Broadband linear absorption from ˜0.8 to over 2.2 μm and nonlinear optical absorption at the 1-μm wavelength region are measured. The CsPbBr3 saturable absorber (SA), manufactured by drop-casting of colloidal CsPbBr3 liquid solution on a gold mirror, shows modulation depth and saturation intensity of 13.1% and 10.7 MW/cm2, respectively. With this SA, mode-locking operation of a polarization-maintained ytterbium fiber laser produces single pulses with duration of ˜216 ps, maximum average output power of 10.5 mW, and the laser spectrum is centered at ˜1076 nm. This work shows that CsPbBr3 films can be efficient SA candidates for fiber lasers and also have great potential to become broadband linear and nonlinear optical materials for photonics and optoelectronics.

  12. Precision measurement of the ratio BR($K_{S} \\to \\pi^{+}\\pi^{-}e^{+}e^{-}$)/BR($K_{L} \\to \\pi^{+}\\pi^{-}\\pi^{0}_{D}$)

    CERN Document Server

    Batley, J R; Lazzeroni, C; Munday, D J; Patel, M; Slater, M W; Wotton, S A; Arcidiacono, R; Bocquet, G; Ceccucci, A; Cundy, D; Doble, N; Falaleev, V; Gatignon, L; Gonidec, A; Grafström, P; Kubischta, W; Marchetto, F; Mikulec, I; Norton, A; Panzer-Steindel, B; Rubin, P; Wahl, H; Goudzovski, E; Hristov, P; Kekelidze, V; Kozhuharov, V; Litov, L; Madigozhin, D; Molokanova, N; Potrebenikov, Yu.; Stoynev, S; Zinchenko, A; Monnier, E; Swallow, E C; Winston, R; Sacco, R; Walker, A; Baldini, W; Dalpiaz, P; Frabetti, P L; Gianoli, A; Martini, M; Petrucci, F; Scarpa, M; Savrié, M; Bizzeti, A; Calvetti, M; Collazuol, E; Iacopini, E; Lenti, M; Ruggiero, G; Veltri, M; Behler, M; Eppard, K; Eppard, M; Hirstius, A; Kleinknecht, K; Koch, U; Marouelli, P; Masetti, L; Moosbrugger, U; Morales Morales, C; Peters, A; Wanke, R; Winhart, A; Dabrowski, A; Fonseca Martin, T; Szleper, M; Velasco, M; Anzivino, G; Cenci, P; Imbergamo, E; Lamanna, G; Lubrano, P; Michetti, A; Nappi, A; Pepe, M; Petrucci, M C; Piccini, M; Valdata, M; Cerri, C; Costantini, F; Fantechi, R; Fiorini, L; Giudici, S; Mannelli, I; Pierazzini, G; Sozzi, M; Cheshkov, C; Chèze, J B; De Beer, M; Debu, P; Gouge, G; Marel, G; Mazzucato, E; Peyaud, B; Vallage, B; Holder, M; Maier, A; Ziolkowski, M; Biino, C; Cartiglia, N; Clemencic, M; Goy Lopez, S; Menichetti, E; Pastrone, N; Wislicki, W; Dibon, H; Jeitler, M; Markytan, M; Neuhofer, G; Widhalm, L

    2011-01-01

    The $K_{S} \\rightarrow \\pi^{+}\\pi^{-}e^{+}e^{-}$ decay mode was investigated using the data collected in 2002 by the NA48/1 collaboration. With about 23,k $K_{S} \\rightarrow \\pi^{+}\\pi^{-}e^{+}e^{-}$ events and 59,k $K_{L} \\rightarrow \\pi^{+}\\pi^{-}\\pi^{0}_{D}$ normalization decays, the $K_{S} \\rightarrow \\pi^{+}\\pi^{-}e^{+}e^{-}$ branching ratio relative to the $K_{L}\\rightarrow \\pi^{+}\\pi^{-}\\pi^{0}_{D}$ one was determined to be BR($K_{S} \\rightarrow \\pi^{+}\\pi^{-}e^{+}e^{-}$)/BR($K_{L} \\rightarrow \\pi^{+}\\pi^{-}\\pi^{0}_{D}$) = $ (3.28 \\pm 0.06_{stat}\\pm 0.04_{syst})\\times 10^{-2}$. This result was used to set the upper limit $|g_{E1}/g_{BR}| \\lt 3.0$ at $90%$ CL on the presence, in the decay amplitude, of an E1 direct emission ($g_{E1}$) term relative to the dominant inner bremsstrahlung ($g_{BR}$) term. The CP-violating asymmetry ${cal A}_{\\phi}$ in the sin$\\phi$,cos$\\phi$ distribution of $K_{S} \\rightarrow \\pi^{+}\\pi^{-}e^{+}e^{-}$ events, where $\\phi$ is the angle between the $\\pi^{+} \\pi^{-}$ and the $...

  13. 3+ and [Sb13Se16Br2] 5+ - Double and quadruple spiro cubanes from ionic liquids

    KAUST Repository

    Ahmed, Ejaz

    2014-01-08

    The reaction of antimony and selenium in the bromine-rich Lewis acidic ionic liquid [BMIm]Br·4.7AlBr3 (BMIm: 1-butyl-3- methylimidazolium) in the presence of a small amount of NbCl5 at 160 °C yielded dark-red crystals of [Sb7Se8Br 2][AlX4]3. For X = Cl0.15(1)Br 0.85(1), the compound is isostructural to [Sb7S 8Br2][AlCl4]3 [P212 121, a = 12.5132(5) Å, b = 17.7394(6) Å, c = 18.3013(6) Å]. For a higher chlorine content, X = Cl 0.58(1)Br0.42(1), a slightly disordered variant with a bisected unit cell is found [P21212, a = 12.3757(3) Å, b = 17.4116(5) Å, c = 9.0420(2) Å]. The [Sb 7Se8Br2]3+ heteropolycation (C 2 symmetry) is a spiro double-cubane with an antimony atom on the shared corner. From this distorted octahedrally coordinated central atom, tricoordinate selenium and antimony atoms alternate in the bonding sequence. The terminal antimony atoms each bind to a bromine atom. Quantum chemical calculations confirm polar covalent Sb-Se bonding within the cubes and indicate three-center, four-electron bonds for the six-coordinate spiro atoms. The calculated charge distribution reflects the electron-donor role of the antimony atoms. The use of a chlorine-rich ionic liquid resulted in the formation of triclinic [Sb13Se16Br2][AlX4] 5 with X = Cl0.80(1)Br0.20(1) [P$\\\\bar {1}$, a = 9.0842(5) Å, b = 19.607(1) Å, c = 21.511(1) Å, α = 64.116(6), β = 79.768(7), γ = 88.499(7)]. The cationic cluster [Sb13Se16Br2]5+ is a bromine-terminated spiro quadruple-cubane. This 31 atom concatenation of four cubes is assumed to be the largest known discrete main group polycation. A similar reaction in a chloride-free system yielded [Sb7Se 8Br2][Sb13Se16Br2] [AlBr4]8. In its monoclinic structure [P2/c, a = 27.214(5) Å, b = 9.383(2) Å, c = 22.917(4) Å, β = 101.68(1)], the two types of polycations alternate in layers along the a axis. In the series [Sb4+3nSe4+4nBr2](2+n)+, these cations are the members with n = 1 and 3. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGa

  14. Optical properties of CdBr2:Eu and CdBr2:Eu, Mn crystals

    International Nuclear Information System (INIS)

    Optical and luminescent properties of the CdBr:Eu and CdBr2:Eu, Mn crystals, grown through the Stockbarger-Bridgman method in evacuated quartz ampoules, are studied within the temperature range of 85-295 K. The results obtained are compared with spectral characteristics of the CdBr2 and CdBr2:Mn crystals. The band with the maximum about 254 nm, observed in the absorption spectra of mono- and polyactivated crystals of cadmium bromide, is attributed to the 4f7 -> 4f65d electron transitions in the Eu2+ ions. The manganese sensitized luminescence is identified by excitation of the CdBr2:Eu, Mn crystals by the light from the area of this band. The nature of the capture centers, responsible for thermostimulated fluorescence, and excitation mechanisms of recombination luminescence in the studied crystals are considered

  15. Brändiopas : brändäys kauneudenhoitoalalla

    OpenAIRE

    Rastas, Kaisa

    2015-01-01

    Brändit vetoavat asiakkaan tunteisiin ja tuottavat elämyksiä sekä unohtumattomia kokemuksia. Brändi on aineeton ulottuvuus, mielikuva, joka rakentuu asiakkaan mielessä. Brändi onkin hieman erilainen eri ihmiseltä kysyttäessä. Tässä oppaassa käsiteltiin kauneudenhoitoalan yritys- ja henkilöbrändin rakentamisen vaiheita. Oppaassa käsiteltiin myös asiakaskokemuksen merkitystä menestyvän yritysbrändin rakentumisessa. Vaikka brändi termiä käytetään hyvin laajasti puhekielessä, se usein liitet...

  16. Brändikäsikirja brändinhallinnan tukena Case: Innojok Oy

    OpenAIRE

    Tamminen, Tytti; Uusitalo, Nea

    2016-01-01

    Opinnäytetyön tavoitteena oli laatia brändikäsikirja opinnäytetyön case yritys Innojok Oy:lle. Tutkimustyön tarkoituksena on selvittää, mitä tehokkaan ja hyödyllisen brändikäsikirjan tulisi sisältää, jotta sen optimaalinen käyttötarkoitus toteutuu. Toimeksianto saatiin case yritykseltä, koska yrityksellä ei ollut vielä brändikäsikirjaa olemassa. Opinnäytetyön teoreettinen viitekehys käsittelee brändiä ja brändinhallinnan merkitystä liiketoiminnan kannalta. Opinnäytetyön teoreettisen ...

  17. Brändäys pelialalla

    OpenAIRE

    Saarelainen, Joona

    2014-01-01

    Tämän opinnäytetyön tavoitteena oli tarjota lukijalle tietopaketti siitä, mikä merkitys brändeillä ja brändäyksellä on kuluttajille videopelimarkkinoilla. Työn tarkoituksena oli tarjota kansainvälisille pelimarkkinoille pyrkivälle yritykselle tietoa brändin rakentamisen aloittamisesta ja siinä tarvittavista analyyseistä. Tämä oli myös opinnäytetyöhön valittu tutkimusongelma. Opinnäytetyö kirjoitettiin kahdessa eri osassa. Teoriaosuus käsittelee suomalaista ja kansainvälistä pelialaa sekä...

  18. Production of 77 Br for medical application

    International Nuclear Information System (INIS)

    Bromine-77 is produced with the variable energy cyclotron (CV-28) at the Instituto de Engenharia Nuclear, via the 75 As. (α, 2 n) 77 Br reaction, by bombarding arsenic trioxide with 28 MeV alpha-particles. The thick target yield is 0.3 mCi/μAh. The target is dissolved in concentrated N H4 OH and 77 Br, separated from arsenic, by an anionic exchange resin, is obtained carrier-free with a separation yield greater than 90%. All the process is remotely controlled using electric and pneumatic systems, manipulators and tongs. The quality control is made by atomic absorption and gamma-ray spectroscopy. The present production rate of Br-77 is 2.3 mCi per irradiation. (author)

  19. Preparation, characterization, and photocatalytic activity of porous AgBr@Ag and AgBrI@Ag plasmonic photocatalysts

    Science.gov (United States)

    Yang, Fan; Tian, Baozhu; Zhang, Jinlong; Xiong, Tianqing; Wang, Tingting

    2014-02-01

    Porous AgBr@Ag and AgBrI@Ag plasmonic photocatalysts were synthesized by a multistep route, including a dealloying method to prepare porous Ag, a transformation from Ag to AgBr and AgBrI, and a photo-reduction process to form Ag nanoparticles on the surface of AgBr and AgBrI. It was found that the porous structure kept unchanged during Ag was transferred into AgBr, AgBrI, AgBr@Ag, and AgBrI@Ag. Both porous AgBr@Ag and porous AgBrI@Ag showed much higher visible-light photocatalytic activity than cubic AgBr@Ag for the degradation of methyl orange, which is because the interconnected pore channels not only provide more reactive sites but also favor the transportation of photo-generated electrons and holes. For AgBrI@Ag, AgBrI solid solution formed at the interface of AgBr and AgI, and the phase junction can effectively separate the photo-generated electrons and holes, favorable to the improvement of photocatalytic activity. The optimal I content for obtaining the highest activity is ∼10 at.%.

  20. 75 FR 6862 - Airworthiness Directives; Bombardier, Inc. Model CL-600-1A11 (CL-600), CL-600-2A12 (CL-601), CL...

    Science.gov (United States)

    2010-02-12

    ... Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic.... Model CL-600-1A11 (CL- 600), CL-600-2A12 (CL-601), CL-600-2B16 (CL-601-3A, CL-601-3R, and CL- 604 Variants (Including CL-605 Marketing Variant)) Airplanes AGENCY: Federal Aviation Administration (FAA),...

  1. Variation of Br-in groundwater and its relationship with other main ions along eastern coast of Leizhou peninsular%雷州半岛东岸地下水 Br-变化及其与宏量离子的关系研究

    Institute of Scientific and Technical Information of China (English)

    黄向青; 甘华阳; 路剑飞; 张顺枝; 潘毅

    2014-01-01

    According to the lab data on groundwater samples during two tidal cycles from monitoring wells J1 and J2 along eastern coast of Leizhou Peninsular , the paper analyzed the anion Br -'s concentration , variation and relationship with other main ions .The results demonstrate that Br -comes mainly from sea-water intrusion, and the basic types of measured well are Na +K· Ca· Mg-Cl· SO4 , and the types of J2 is Na+K· Ca· Mg-Cl· SO4· HCO3;the average content of Br -in J1 is 11.69~14.35mg/L and the concentration of Br -in J2 is almost half in J1's.Br -statistical characteristics every well change with the number of measurement .Combined with the ratio of Br -/Cl -and the invironment of measured well , it is thought that J1 primarily has sea-phase and J2 has river-sea phase in term of Br -/Cl -;Br -owns al-most the same relative amplitudes with Cl -and SO4 2-,which show Br -also actively takes part in the process of seawater intrusion;the correlation of Br -with other ions also varies with wells and the ratio of Br-to Na +is the lowest among the ratio of Br -to cations.the highest is K +;the ratio of Br -to Mg2+is in the meantime .The frequency in the region of milligram equivalent ratio chiefly appears the distribu-tion forms of left lean, sharp peak and flat peak , especially in well J2, the ratio ofγBr -/γK+is close to normal .The relativity of milligram equivalent ratio and mass equivalent ratio is consistent .The linear rela-tionship between Br -/Na +and Br -/Cl -is good.The paper finally made linear LST fitness .%依据雷州半岛东岸J1、J2测井地下水潮周期取样测试数据,对Br-含量、变化及其与其它宏量离子的关系进行了分析。结果显示:Br-主要来源于海水侵染,测井基本类型为 Na +K · Ca · Mg -Cl · SO4, J2为Na+K· Ca· Mg-Cl· SO4· HCO3。 J1测井Br-平均含量为11.69~14.35 mg/L,J2测井Br-平均值约为J1的一半,各测井Br-统计特征随测次而有所变化。进一步结

  2. Enhancing the Deactivation Durability of Nano-sized HZSM-5 for Aromatization by Adjusting its Ratio of Lewis/Brφnsted Acid Sites

    Institute of Scientific and Technical Information of China (English)

    Zhou Bo XU; Hong Chen GUO; Xiang Sheng WANG; Pei Qing ZHANG; Le Ping ZHAO; Yong Kang HU

    2004-01-01

    Ratio of Lewis/Br(nsted acid sites (Cl/Cb) on the surface of nano-sized HZSM-5 was successfully manipulated by means of steaming and acid leaching. Significant enhancement of the deactivation durability of nano-sized HZSM-5 in the aromatization of fluid catalytic cracking (FCC) gasoline olefins seems to be closely related to the increase of Lewis/Br(nsted acid sites ratio.

  3. Airborne I-DOAS measurements at Mt. Etna: BrO and OClO evolution in the plume

    Science.gov (United States)

    General, S.; Bobrowski, N.; Pöhler, D.; Weber, K.; Fischer, C.; Platt, U.

    2015-07-01

    Spatial distributions of bromine monoxide (BrO), chlorine dioxide (OClO) and sulfur dioxide (SO2) were determined in the volcanic emissions of Mt. Etna on 8th and 9th of July 2011 by Airborne Imaging Differential Optical Absorption Spectroscopy (AI-DOAS). Slant column densities (SCDs in units of molec/cm2) of up to 4.2 × 1014 for BrO, 1.5 × 1014 for OClO and 4.6 × 1018 for SO2 were detected. Assuming SO2 to be a stable tracer to overcome dilution effects, measurements of BrO/SO2 and OClO/SO2 ratios from distances of 1-19 km to the summit crater region were used to investigate the evolution of BrO and OClO within corresponding plume ages of 2-34 min. Along the centerline of the plume relatively constant BrO/SO2 ratios of 1.4 × 10- 4 and 2.0 × 10- 4 were detected on 8th and 9th of July 2011, respectively. Furthermore the BrO/SO2 ratio was investigated along several cross-sections of the volcanic plume. On both days significant increases by a factor of 2-3 in the BrO/SO2 ratio from the center to the edge of the plume were seen. From simultaneous measurements of BrO and OClO the mixing ratios of ClO could be inferred to range from about 80 to 300 ppt. In addition, decreases in the BrO/SO2 ratio with time could be observed by measurements three to four hours before the culmination of a paroxysm at Mt. Etna on 9th July 2011.

  4. A Possible Reaction Channel from BrONO to BrNO2

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A possible isomerization channel from BrONO (bromine nitrite) to BrNO2 (nitryl bromide) is predicted by means of MP2 and QCISD(T) (single-point) methods. The channel is a direct bromine abstraction reaction from BrONO molecule by NO2 in which the forward reaction barrier is 89.30 kJ/mol at final UQCISD(T)/6-311+G(2df)//UMP2/6-311G(d) level of theory with zero-point energies included. The result can explain the available experiments very well.

  5. Prévention de la maladie thromboembolique veineuse chez le brûlé

    Science.gov (United States)

    Siah, S.; El Farouki, A.

    2014-01-01

    Summary Les complications thromboemboliques sont considérées comme rares chez le patient brûlé. Leur incidence varie selon les études réalisées. Les patients brûlés présentent de nombreux facteurs de risque favorisant la survenue de ces complications. Le diagnostic clinique de la thrombose veineuse profonde et de l’embolie pulmonaire reste difficile vu leur évolution infraclinique et la non spécificité des signes cliniques. L’échodoppler veineux et l’angioscanner thoracique constituent les éléments clés dans la stratégie diagnostique de la thrombose veineuse profonde et de l’embolie pulmonaire chez les patients brûlés. Le traitement ne diffère pas de celui administré aux autres patients non brûlés et victimes de la thrombose veineuse profonde et de l’embolie pulmonaire. La prophylaxie controversée entre les auteurs, est un sujet d’actualité. Plusieurs praticiens et organismes recommandent son utilisation de routine chez les patients brûlés à risque. Elle reste le seul moyen capable d’empêcher la survenue de la maladie thromboembolique veineuse capable d’engager le pronostic vital chez ces patients. Nous rapportons 6 observations de patients brûlés ayant développé une maladie thromboembolique veineuse. PMID:26170780

  6. Carbon monoxide protonation in condensed phases and bonding to surface superacidic Brønsted centers.

    Science.gov (United States)

    Stoyanov, Evgenii S; Malykhin, Sergei E

    2016-02-14

    Using infrared (IR) spectroscopy and density functional theory (DFT) calculations, interaction of CO with the strongest known pure Brønsted carborane superacids, H(CHB11Hal11) (Hal = F, Cl), was studied. CO readily interacted at room temperature with H(CHB11F11) acid, forming a mixture of bulk salts of formyl and isoformyl cations, which were in equilibrium An(-)H(+)CO COH(+)An(-). The bonding of CO to the surface Brønsted centers of the weaker acid, H(CHB11Cl11), resulted in breaking of the bridged H-bonds of the acid polymers without proton transfer (PT) to CO. The binding occurred via the C atom (blue shift ΔνCO up to +155-167 cm(-1), without PT) or via O atom (red shift ΔνCO up to -110 cm(-1), without PT) always simultaneously, regardless of whether H(+) is transferred to CO. IR spectra of all species were interpreted by B3LYP/cc-pVQZ calculations of the simple models, which adequately mimic the ability of carborane acids to form LH(+)CO, LH(+)CO, COH(+)L, and COH(+)L compounds (L = bases). The CO bond in all compounds was triple. Acidic strength of the Brønsted centers of commonly used acid catalysts, even so-called superacidic catalysts, is not sufficient for the formation of the compounds studied. PMID:26805010

  7. Ravintola Tallin brändi-identiteetti ja -imago

    OpenAIRE

    Hirvikoski, Mira

    2015-01-01

    Opinnäytetyöni aiheena on brändi. Brändit ovat nykyaikana oleellinen osa liiketoimintaa ja parhaimmil-laan jopa yritystensä kallisarvoisinta omaisuutta. Brändi-identiteetti on tulevaisuuden tavoite, johon yritys pyrkii. Se kertoo, millaisena yritys toivoisi ulkopuolisten tahojen, kuten asiakkaiden, näkevän sen brändin. Brändi-imago taas kuvaa sitä, millaisena yrityksen ulkopuoliset tahot näkevät sen brändin juuri tällä het-kellä. Opinnäytetyöni tavoitteena oli selvittää, miten Ravintola T...

  8. 75 FR 37994 - Airworthiness Directives; Bombardier, Inc. Model CL-600-1A11 (CL-600), CL-600-2A12 (CL-601), CL...

    Science.gov (United States)

    2010-07-01

    ... FR 6862). That NPRM proposed to correct an unsafe condition for the specified products. The MCAI... ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3..., Inc. Model CL-600-1A11 (CL- 600), CL-600-2A12 (CL-601), CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-...

  9. Elamusturundus: riigi brändimine ja Eesti bränd / Siiri Same

    Index Scriptorium Estoniae

    Same, Siiri

    2015-01-01

    Artikli autor oma 2015. a. Tallinna Tehnikaülikoolis kaitstud doktoritööst "Conceptualization of experience marketing and country branding from a marketing management perspective" ("Elamusturunduse ja riigi brändimise kontseptualiseerimine turunduse juhtimise vaatenurgast")

  10. Etude structurale et vibrationnelle d'un nouveau composé complexe de cobalt: [Co(imidazole4Cl]Cl

    Directory of Open Access Journals (Sweden)

    Amira Derbel

    2015-10-01

    Full Text Available In the title complex, chloridotetrakis(1H-imidazole-κN3cobalt(II chloride, [CoCl(C3H4N24]Cl, the CoII cation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im4Cl]Cl [Morzyk-Ociepa et al. (2012. J. Mol. Struct. 1028, 49–56] and [Cu(Im4Br]Br [Hossaini Sadr et al. (2004. Acta Cryst. E60, m1324–m1326]. In the crystal, the [CoCl(C3H4N24]+ cations and Cl− anions are linked via N—H...Cl hydrogen bonds, forming layers parallel to (010. These layers are linked via C—H...Cl hydrogen bonds and C—H...π and π–π [inter-centroid distance = 3.794 (2 Å] interactions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an orthorhombic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1:0.431 (1.

  11. Enhanced ionic conductivity with Li7O2Br3 phase in Li3OBr anti-perovskite solid electrolyte

    Science.gov (United States)

    Zhu, Jinlong; Li, Shuai; Zhang, Yi; Howard, John W.; Lü, Xujie; Li, Yutao; Wang, Yonggang; Kumar, Ravhi S.; Wang, Liping; Zhao, Yusheng

    2016-09-01

    Cubic anti-perovskites with general formula Li3OX (X = Cl, Br, I) were recently reported as superionic conductors with the potential for use as solid electrolytes in all-solid-state lithium ion batteries. These electrolytes are nonflammable, low-cost, and suitable for thermoplastic processing. However, the primary obstacle of its practical implementation is the relatively low ionic conductivity at room temperature. In this work, we synthesized a composite material consisting of two anti-perovskite phases, namely, cubic Li3OBr and layered Li7O2Br3, by solid state reaction routes. The results indicate that with the phase fraction of Li7O2Br3 increasing to 44 wt. %, the ionic conductivity increased by more than one order of magnitude compared with pure phase Li3OBr. Formation energy calculations revealed the meta-stable nature of Li7O2Br3, which supports the great difficulty in producing phase-pure Li7O2Br3 at ambient pressure. Methods of obtaining phase-pure Li7O2Br3 will continue to be explored, including both high pressure and metathesis techniques.

  12. Synthesis of C-fused Penems By Br- or Cl-Promoted S-Heterocyclization

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    @@ Introduction In the past several years, much research work has been done for the synthesis of C-fused bicyclo-β-lactam compounds and a concise “Double Annulation” procedure has been developed. The β-lactam ring is formed by the classical Staudinger reaction[1—3] between α-(alkylthio) acyl chloride and an equivalent α,β-unsaturated imine. The sulfur ring is subsequently fused onto the β-lactam unit by means of a halogen-promoted heterocyclization process[4—6]. This procedure was applied to the synthesis of penem as illustrated in Fig.1. The obtained X-penems are a kind of important intermediates for synthesizing a series of β-lactam compounds, for example, they are carboxylated by coupling reactions on the C atom which is linked to halagen, forming penem[7]. An important purpose in the research field is to probe into new β-lactam medicines.

  13. Experimental studies on BrO/Br ratios at Stromboli, Etna, Masaya, Gorely and Nyiragongo

    Science.gov (United States)

    Bobrowski, Nicole; Wittmer, Julian; Liotta, Marcello; Calabrese, Sergio; Giuffrida, Giovanni; Brusca, Lorenzo; Platt, Ulrich

    2014-05-01

    Since the discovery of BrO in a volcanic plume (Bobrowski et al. 2003) many measurements have been performed as well as modelling to understand the radical chemistry in volcanic plumes, in particular, the interaction between volcanic gas species, released under strongly reduced conditions, and the oxidizing atmosphere. Besides the goal in atmospheric chemistry to better determine the impact of volcanic emission (e.g. reactive bromine) on the local (and maybe global) scale, volcanologists also have an interest to understand if the BrO/SO2 ratios can be used as a monitoring parameter giving further insides in dynamic processes of volcanoes. One of the major advantages when utilizing BrO/SO2 ratios is the relatively easiness of the measurements, which can be taken in a safe distance from volcanic activity accompanied by a good temporal resolution partly even during explosive eruptions. Recently, it has been shown (Lübcke et al., 2013) that already existing automatically running measurement networks can now be used to gain long-term data sets of BrO/SO2 ratios. However, one of the arguments which potentially makes volcanological interpretations difficult is the reactivity of BrO. Therefore it is, of great importance to link the measurements of BrO and gaseous hydrogen bromide to the total emission flux of bromine in order to estimate the pristine gas composition released from magmas. In particular, meteorological influences, trace gas composition of the surrounding atmosphere and the volcanic gas composition can all potentially effect the formation of BrO and might have to be considered. Some of these factors potentially also influence near source in-situ measurement. We need to answer the question: Can we correlate BrO measurements to the total bromine outgassing? Only with this knowledge we can relate changes of the measured gas ratios (BrO/SO2) to the volcanic fluids emitted by the underlying magma and can interpret data as signals from depth, which provide insight

  14. Vahva ja erottuva brändi yrityksen kilpailuetuna : VihreäKeiju-brändin kuluttaja-asiakastutkimus

    OpenAIRE

    Merta, Helinä

    2011-01-01

    Brändi on kaikkien niiden mielikuvien ja tietojen summa, joita ihmisellä on jostain asiasta. Brändi syntyi 1700-luvun Amerikassa, jossa karja merkittiin polttomerkein (engl. brand), jotta jokainen erottaisi oman karjansa. Brändi tarkoittikin aluksi erilaistavaa tunnistetta tai symbolia. Nykyisin brändillä viitataan konkreettisiin ja mielikuvallisiin ominaisuuksiin, joiden avulla tuotteet erottuvat toisistaan. Brändiä rakentamalla pyritään kirkastamaan brändiin liitettyjä mielikuvia sekä er...

  15. The BR2 high-flux reactor

    Energy Technology Data Exchange (ETDEWEB)

    Ponsard, Bernard [Belgian Nuclear Research Center (SCK-CEN), Mol (Belgium). BR2 Reactor

    2012-10-15

    The BR2 reactor is a 100 MW{sub th} High-Flux 'Material Testing Reactor' which first became operational in 1963 and has since been refurbished in 1995 to 1997. It is operated by the Belgian Nuclear Research Centre, SCK CEN, in the framework of programmes related to the development of structural materials and nuclear fuels for fission and fusion reactors. Serious maintenance efforts are currently made by SCK CEN to secure its safe operation until at least 2023. This would guarantee the continuity of the activities in which the BR2 reactor is involved through its replacement by an Accelerator Driven System (ADS), MYRRHA, scheduled to be operated by SCK CEN from 2023. (orig.)

  16. Aging and mechanical properties of NR/BR blends

    Science.gov (United States)

    Chiu, Hsien-Tang; Tsai, Peir-An

    2006-02-01

    The mechanical properties and post-thermal aging properties of natural rubber (NR) and polybutadiene rubber (BR) blends at different blending ratios are investigated herein. The experimental results show that both tensile and tear strengths of NR/BR blends increase with increasing NR content. BR has a higher compression stiffness than NR. The deformation of BR is less than that of NR under the same load conditions. With regard to aging properties, both tensile stress and strain of NR/BR blends decrease after prolonged aging. In addition, the stress loss of BR is lower than that of NR, meaning that the aging resistance property of BR is superior to that of NR. Furthermore, accumulated thermal history has shifted the glass transition temperature (T g) of NR/BR blends toward lower temperatures while the loss tangent (tan δ) value increases with prolonged thermal aging.

  17. Decommissioning of the BR3 PWR

    Energy Technology Data Exchange (ETDEWEB)

    Massaut, V.; Klein, M

    1998-07-01

    The objectives, programme and main achievements of SCK-CEN's decommissioning programme in 1997 are summarised. Particular emphasis is on the BR3 decommissioning project. In 1997, auxiliary equipment and loops were dismantled; concrete antimissile slabs were decontaminated; the radiology of the primary loop was modelled; the quality assurance procedure for dismantling loops and equipment were implemented; a method for the dismantling of the reactor pressure vessel was selected; and contaminated thermal insulation of the primary loop containing asbestos was removed.

  18. BR10-Værktøj

    DEFF Research Database (Denmark)

    2011-01-01

    BR10 Værktøjet giver svar på hovedparten af de problemstillinger håndværkere og entreprenører støder på i anvendelsen af det nye Bygningsreglement i forbindelse med renoveringsopgaver. Værktøjet er let, praktisk og overskueligt, og du kan ved hjælp af alfabetiske lister over bygningsdele og...

  19. Energy Response of LaBr3

    Science.gov (United States)

    Ertürk, S.; Maj, A.; Ciemala, M.; Stezowski, O.; Courtin, S.; Strachan, J.; Kumar, S.; Paris Collaboration

    2012-09-01

    In recent years, important developments in scintillator technology have been made in the Lanthanum Halogen LaBr3 (Ce) crystal, which has high-energy separation, very good timing-properties and a stopping-power that can be used as a detector at room temperature. The international PARIS project will be created as a prototype of this detector system, which will be used in SPIRAL2 as a stand alone or in collaboration with the EXOGAM or AGATA detector array. A fusion evaporation reaction is used to produce exotic nuclei and is then transferred at a very high angular momentum to compound nuclei. Due to the accompanying high rotation, the exotic shape starts changing into vibrational and rotational collective phenomena which hitherto have together become difficult to detect and fully understand. In order to perform this type of research, in addition to conventional known gamma-ray detectors, high-efficiency gamma-ray detectors that can effectively identify gamma rays are also required as calorimeters. LaBr3 is planned to use such means. Results of ongoing analysis for energy and the time response of LaBr3 will be presented.

  20. 5-Br-PAN-6S的制备

    Institute of Scientific and Technical Information of China (English)

    任显钜; 周华凤

    2011-01-01

    本文合成了5-Br-PAN-6S,从α-氨基吡啶出发进行溴化得5-Br-2-氨基吡啶,在碱性条件下重氮化后,再与β-萘酚偶联得5-Br-PAN,在40-50℃的温度下,用发烟硫酸进行磺化生成5-Br-PAN-6S.

  1. SOFC brændselsceller i et intelligent elnet

    OpenAIRE

    Hjelm, Johan

    2015-01-01

    SOFC brændselsceller kan være med til at skabe balance i elnettet i takt med at elproduktionen i stigende grad baseres på sol og vind. Brændselscellerne kan kobles til naturgasnettet og på sigt bruge forskellige former for VE-gasser som brændstof.

  2. Dry storage of the BR3 spent fuel in the Castor BR3 cask

    Energy Technology Data Exchange (ETDEWEB)

    Ooms, L.; Massaut, V.; Noynaert, L. [SCK/CEN, B-2400 Mol (Belgium); Braeckeveldt, M. [Niras/Ondraf, B-1210 Brussels (Belgium)

    2001-07-01

    Twenty-five years of operation has resulted in an inventory of spent fuel with a wide variety in the BR3 nuclear pilot power plant. Studies were launched to evaluate all possible solutions for the BR3 experimental and 'exotic' spent fuel, i.e. reprocessing, dry storage in containers and dry storage in canisters. For the BR3 spent fuel the interim dry storage in Castor BR3 containers was chosen. The present paper describes in a first part the history and characteristics of the spent fuel. A second part handles with the different options, which were studied for the spent fuel evacuation. The last part focuses on the spent fuel preparation and the production of the Castor BR3. This project allowed the SCK-CEN to build up an important know-how in the field of spent fuel management, especially the management of research reactor fuel, which is very specific and not comparable with spent fuel of commercial nuclear power plants. (author)

  3. Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4](-) (X = F, CI, Br, I, At, Uus)

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wan-Lu; Li, Yong; Xu, Congqiao; Wang, Xue B.; Vorpagel, Erich R.; Li, Jun

    2015-12-07

    Systematic theoretical and experimental investigations have been performed to understand the periodicity and electronic structures of trivalent-gold halides using gold tetrahalides [AuX4]⁻ anions (X = F, Cl, Br, I, At, Uus). The [AuX4]⁻ (X = Cl, Br, I) anions were produced in gas phase and their negative-ion photoelectron spectra were obtained, which exhibited rich and well-resolved spectral peaks. We calculated the adiabatic as well as vertical electron detachment energies using density functional methods with scalar and spin-orbit coupling relativistic effects. The simulated photoelectron spectra based on these calculations are in good agreement with the experimental spectra. Our results show that the trivalent Au(III) oxidation state becomes progressively less stable while Au(I) is preferred when the halides become heavier along the Period Table. This trend reveals that the oxidation state of metals in complexes can be manipulated through ligand design

  4. Octadecabromidobis(dicarbidodecadysprosium, [Dy10Br18(C22

    Directory of Open Access Journals (Sweden)

    Kathrin Daub

    2008-01-01

    Full Text Available Single crystals of [Dy10Br18(C22] were obtained during the reaction of DyBr3 with dysprosium metal and graphite in a sealed tantalum container. In the crystal structure, the Dy atoms form dimers of edge-sharing octahedra, each encapsulating a C2 unit. The metal atoms are surrounded by Br atoms above the cluster edges and vertices, respectively. The dimers are connected to each other by Br atoms, leading to a three-dimensional network. [Dy10Br18(C22] is isotypic with its iodido analogue [Dy10I18(C22].

  5. Vaatemerkin brändin vaikutus vaatteiden ostoon

    OpenAIRE

    Orkamaa, Miro

    2014-01-01

    Opinnäytetyöni aiheena on tutkia, kuinka vaatemerkin brändi vaikuttaa vaatteiden ostamiseen Kemi-Tornion ammattikorkeakoulun opiskelijoiden keskuudessa. Opinnäytetyössäni pohdin kuluttajien ostokäyttäytymistä, itse ostoprosessia sekä brändiä, brändin merkitystä nyky-yhteiskunnassa ja brändikritiikkiä. Otan esimerkkejä brändeistä, jotka liittyvät vaateteollisuuteen ja ovat tunnettuja merkkejä. Tutkimusta varten suoritin kyselyn, jonka tavoitteena oli selvittää, kuinka paljon vaatemerkki j...

  6. Proposed solar neutrino experiment using 81Br(nu,e-)81Kr

    International Nuclear Information System (INIS)

    It has now been shown that it is feasible to measure the 7Be neutrino source in the sun by using the reaction 81Br(nu,e-)81Kr in a radiochemical experiment. Such an experiment would be quite similar to the Davis, Cleveland, and Rowley method for measuring the 8B neutrino using 37Cl(nu,e-)37Ar except that the resonance ionization spectroscopy (RIS) method (instead of decay counting) would be employed to count the 2 x 105-yr 81Kr atoms

  7. Proposed solar neutrino experiment using 81Br(ν,e-)81Kr

    International Nuclear Information System (INIS)

    It has now been show that it is feasible to measure the 7Be neutrino source in the sun by using the reaction 81Br(ν,e-)81Kr in a radiochemical experiment. Such an experiment would be quite similar to the Davis, Cleveland, and Rowley method for measuring the 8B neutrino using 37Cl(ν,e-)37Ar except that the resonance ionization spectroscopy (RIS) method (instead of decay counting) would be employed to count the 2 x 105-yr 81Kr atoms

  8. Communication: An unusual halogen-bonding motif: the LiBr···BrF dimer as a model system.

    Science.gov (United States)

    McDowell, Sean A C; Joseph, Jerelle A

    2012-11-01

    A stable complex, LiBr···BrF, is predicted in which the negative Br atom of LiBr is anchored to the Br atom of BrF by a halogen bond, while the positively charged Li atom interacts with the lone pair electron density on the Br atom of BrF in a direction roughly perpendicular to the halogen bond. As far as we are aware, this is the first reported instance of an atom of one diatomic molecule (Br of BrF) being bonded to two different, oppositely charged atoms (Li and Br) of another diatomic molecule (LiBr). Other less stable dimers of LiBr and BrF were predicted and compared with this novel complex. PMID:23145710

  9. On the Reaction Mechanism of Br2 with OCS

    Institute of Scientific and Technical Information of China (English)

    Hai Tao YU; Hua ZHONG; Ming Xia LI; Hong Gang FU; Jia Zhong SUN

    2005-01-01

    The reaction mechanism of photochemical reaction between Br2 ( 1 ∑ ) and OCS ( 1 ∑ ) is predicted by means of theoretical methods. The calculated results indicate that the direct addition of Br2 to the CS bond of OCS molecule is more favorable in energy than the direct addition of Br2to the CO bond. Furthermore, the intermediate isomer syn-BrC(O)SBr is more stable thermodynamically and kinetically than anti-BrC(O)SBr. The original resultant anti-BrC(O)SBr formed in the most favorable reaction channel can easily isomerize into the final product syn-BrC(O)SBr with only 31.72 kJ/mol reaction barrier height. The suggested mechanism is in good agreement with previous experimental study.

  10. A Capillary Electrophoresis Detection Scheme for Water-soluble Vitamins Based on Luminol - BrO- Chemiluminescence System

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A novel chemiluminescence detection scheme has been developed for detecting water-soluble vitamins following capillary electrophoresis (CE) separation. This detection was based on the inhibitory effect of vitamins on the CL reaction between luminol and BrO- in basic aqueous solution. Detection of vitamins was accomplished with a borate-based background electrolyte at pH 9.2. The luminol was used as a component of the separation carrier electrolyte.

  11. Creation of a quaternary centre by copper mediated SN2’ substitution with PhMgBr

    DEFF Research Database (Denmark)

    Tønder, Janne Ejrnæs; Ahrenst, Alex B.; Tanner, David Ackland

    In our studies of the formation of quaternary stereogenic centres, we have worked on the addition of arylcoppermagnesium reagents to geranyl chloride. Based on the work published by Bäckvall(1), the primary focus was optimisation of SN2’-substitution versus SN2-substitution. By examination...... of different copper salts, it was found that SN2’-selectivity increased in the following order; CuCl Br...

  12. First measurement of high energy 22.5 MeV gamma rays in a large LaBr3: Ce detector

    International Nuclear Information System (INIS)

    The recent discovery of Lanthanum-halide (LaX3:Ce) crystals is proving to be a major step forward in the continuing quest for an ideal scintillator for nuclear radiation detection. The production and marketing of the LaCl3: Ce and LaBr3: Ce crystals have resulted in a flurry of activities for their testing and characterisations. The very attractive and superior properties of LaBr3: Ce, namely, energy and timing resolution, stability, high efficiency etc. over most of the other scintillators open up a very wide usage of these scintillators in nuclear spectroscopy, astronomy, medical imaging, geological applications etc. As far nuclear spectroscopy is concerned the LaBr3: Ce and LaCl3: Ce scintillators demonstrate the capabilities to be used for the detection of both low and high energy gamma rays

  13. OClO and BrO observations in the volcanic plume of Mt. Etna - implications on the chemistry of chlorine and bromine species in volcanic plumes

    Science.gov (United States)

    Gliss, J.; Bobrowski, N.; Vogel, L.; Pohler, D.; Platt, U.

    2015-05-01

    Spatial and temporal profiles of chlorine dioxide (OClO), bromine monoxide (BrO) and sulfur dioxide (SO2) of the volcanic plume at Mt. Etna, Italy, were investigated in September 2012 using Multi-Axis Differential Optical Absorption Spectroscopy (MAX-DOAS). OClO was detected in 119 individual measurements covering plume ages up to 6 min. BrO could be detected in 452 spectra up to 23 min downwind. The retrieved slant column densities (SCDs) reached maximum values of 2.0 × 1014 molecules cm-2 (OClO) and 1.1 × 1015 molecules cm-2 (BrO). Mean mixing ratios of BrO and OClO were estimated assuming a circular plume cross section. Furthermore, ClO mixing ratios were derived directly from the BrO and OClO-SCDs. Average abundances of BrO = 1.35 ppb, OClO = 300 ppt and ClO = 139 ppt were found in the young plume (plume age τ atmospheric lifetime of CH4, the impact of gaseous chlorine on the CH4 budget in the plume environment should nevertheless be relatively small due to plume dispersion (decreasing Cl concentrations) and ongoing mixing of the plume with the surrounding atmosphere (replenishing O3 and CH4). In addition, all spectra were analysed for signatures of IO, OIO and BrO. None of these species could be detected. Upper limits for IO/SO2, OIO/SO2 and OBrO/SO2 are 1.8 × 10-6, 2.0 × 10-5 and 1.1 × 10-5 respectively.

  14. Anticorrosion Performance of Carbon Steel in 55% LiBr Solution Containing PMA/SbBr3 Inhibitor

    Institute of Scientific and Technical Information of China (English)

    HU Xian-qi; LIANG Cheng-hao; HUANG Nai-bao

    2006-01-01

    The anticorrosion performance of carbon steel in 55% LiBr solution containing PMA/SbBr3 inhibitor was studied by weight-loss tests, electrochemical measurements and surface analysis. In 55%LiBr+PMA/SbBr3 solution, corrosion rates of carbon steel at 145 ℃, 175 ℃, 190 ℃ and 240 ℃ are 18.32 μm·a-1, 27.68 μm·a-1, 53.58 μm·a-1 and 73.78 μm·a-1, respectively. PMA/SbBr3 inhibitor may inhibit the corrosion of carbon steel in 55% LiBr solution effectively. Especially, it shows an excellent corrosion inhibition performance at high temperature. Both anodic and cathodic reactions of carbon steel may be inhibited by PMA/SbBr3 inhibitor, so it may be classified as mixed inhibitor. In 55%LiBr+PMA/SbBr3 solution, the apparent activation energy of the corrosion reaction of carbon steel is 29.61 kJ·mol-1. The corrosion inhibition mechanism of PMA/SbBr3 is suggested as follows: PMA has the effect of inhibiting hydrogen evolution and a strong oxidizing property; Sb3+ also exhibits oxidizing properties, and can exist stably with PMA in LiBr solutions; the passive film comprising Fe2O3 and antimony formed on carbon steel surface may prevent Br- from diffusing into the metal surface due to the synergistic effect of PMA and Sb3+; As a result, the anticorrosion performance of carbon steel may be improved by PMA/SbBr3 inhibitor in 55% LiBr solution.

  15. Ozone Depletion Potential of CH3Br. Appendix H

    Science.gov (United States)

    Ko, Malcolm K. W.; Sze, Nien Dak; Scott, Courtney; Rodriguez, Jose M.; Weisenstein, Debra K.; Sander, Stanley P.

    1998-01-01

    The ozone depletion potential (ODP) of methyl bromide (CH3Br) can be determined by combining the model-calculated bromine efficiency factor (BEF) for CH3Br and its atmospheric lifetime. This paper examines how changes in several key kinetic data affect BEF. The key reactions highlighted in this study include the reaction of BrO + HO2, the absorption cross section of HOBr, the absorption cross section and the photolysis products of BrONO2, and the heterogeneous conversion of BrONO2 to HOBr and HNO3 on aerosol particles. By combining the calculated BEF with the latest estimate of 0.7 year for the atmospheric lifetime of CH3Br, the likely value of ODP for CH3Br is 0.39. The model-calculated concentration of HBr (approx. 0.3 pptv) in the lower stratosphere is substantially smaller than the reported measured value of about 1 pptv. Recent publications suggested models can reproduce the measured value if one assumes a yield for HBr from the reaction of BrO + OH or from the reaction of BrO + HO2. Although the evaluation concluded any substantial yield of HBr from BrO + HO2 is unlikely, for completeness, we calculate the effects of these assumed yields on BEF for CH3Br. Our calculations show that the effects are minimal: practically no impact for an assumed 1.3% yield of HBr from BrO + OH and 10% smaller for an assumed 0.6% yield from BrO + HO2.

  16. Brändi ja sen kehittäminen : Bränditutkimus ja brändinkehittämisehdotuksia kauppakeskus Elolle

    OpenAIRE

    Kumanto, Sofia

    2015-01-01

    Tämä työn tarkoituksena oli tutkia kauppakeskus Elon asiakkaiden brändimielikuvaa Elosta ja vastauksien perusteella koota brändinkehittämisehdotuksia. Tavoitteena on käyttää näitä tuloksia lisäämään kauppakeskus Elon johdon tietoa Elon brändistä heidän asiakkaiden näkökulmasta. Lisäksi tavoitteena on auttaa tämän tiedon ja työn sisältämien brändikehittämisehdotuksien pohjalta kehittämään Elon brändiä ja näin saada houkuteltua lisää asiakkaita kauppakeskukseen. Johdannossa esitellään kaup...

  17. 76 FR 46597 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2A12 (CL-601) and CL-600-2B16 (CL-601-3A...

    Science.gov (United States)

    2011-08-03

    .... Model CL-600-2A12 (CL- 601) and CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-604 Variants) Airplanes... Bombardier, Inc. model-- Task(s)-- Initial compliance time (whichever occurs later)-- CL-600-2A12 (CL-601... icing. accumulation of 4,800 after the effective inclusive; and CL-600-2B16 (CL- total flight hours;...

  18. A hydrochemical investigation using 36Cl/Cl in groundwaters

    OpenAIRE

    Metcalfe, R.

    2003-01-01

    This report describes 36Cl studies which were undertaken during the H14 financial year. 6 groundwater samples were collected for 36Cl analysis. The results of this study suggest that 36Cl data could potentially be useful for interpreting groundwater origins and flow paths.

  19. Synthesis and crystal structures of Cd[AlCl4]2 and Cd2[AlCl4]2

    International Nuclear Information System (INIS)

    Colorless single crystals of Cd[AlCl4]2 grow from the melt of CdCl2 and AlCl3 upon slow cooling from 250 0C. The crystal structure [monoclinic, P1a1, Z = 2, a = 1288.7(2), b = 660.2(1), c = 705.1(1) pm, β = 92.89(1)0] may be derived from hexagonally closest packed layers of Cl-. Octahedral and tetrahedral holes are filled with Cd2+ and Al3+ in a 1:2 ratio between all layers stacked in the [104] direction. Cd[GaCl4]2 and Cd[AlBr4]2 are isotypic. Reduction of Cd[AlCl4]2 with excess cadmium shot and slow cooling from 350 0C yields plate-like very moisture-sensitive, colorless single crystals of Cd2[AlCl4]2. The crystal structure [triclinic, C-1, Z = 2, a = 655.47(3), b = 1135.26(1), c = 935.23(6) pm, α = 89.70(2)0, β = 103.61(1)0, γ = 90.455(1)0] is built from slabs stacked in the [100] direction consisting of ethane-like [Cd2Cl6] units with a Cd-Cd distance of 256.1 pm sharing common vertices with [AlCl4] tetrahedra. (author)

  20. Brändi mielikuvien luojana : Case:IKU

    OpenAIRE

    Perkiö, Markus

    2012-01-01

    Brändi terminä on yleistynyt puhekielessä viimeisten vuosikymmenien aikana. Brändiä käytetään kuvaamaan esineitä, asioita, yrityksiä, ihmisiä tai ideologiaa. Tässä opinnäytetyössä perehdyttiin brändiin ilmiönä, brändin luomiseen sekä sen erottumiseen kilpailijoistaan. Opinnäytetyössä tarkasteltiin brändiä työkaluna uuden artistin esille tuomisessa kohderyhmälleen sekä suurelle yleisölle. Vaikka brändi termiä käytetään hyvin laajasti puhekielessä, se usein liitetään virheellisesti johonkin...

  1. SOFC brændselsceller i et intelligent elnet

    DEFF Research Database (Denmark)

    Hjelm, Johan

    2015-01-01

    SOFC brændselsceller kan være med til at skabe balance i elnettet i takt med at elproduktionen i stigende grad baseres på sol og vind. Brændselscellerne kan kobles til naturgasnettet og på sigt bruge forskellige former for VE-gasser som brændstof.......SOFC brændselsceller kan være med til at skabe balance i elnettet i takt med at elproduktionen i stigende grad baseres på sol og vind. Brændselscellerne kan kobles til naturgasnettet og på sigt bruge forskellige former for VE-gasser som brændstof....

  2. Yrityksen brändi-imago ja -identiteetti

    OpenAIRE

    Anttonen, Jaakko

    2008-01-01

    Tämä opinnäytetyö käsittelee brändiä, brändi-imagoa ja -identiteettiä. Opinnäytetyö tehtiin Viikko-Häme Oy:n toimeksiantona. Opinnäytetyön tutkimusongelma oli selvittää, millaisia sanomalehti Viikko-Hämeen tämänhetkiset brändi-imago ja brändi-identiteetti ovat ja miten niitä voisi kehittää. Brändi on yritys, tuote tai palvelu, jolla on jonkinlaista lisäarvoa kuluttajalle, minkä vuoksi se erottuu edukseen markkinoilla. Vahva ja tunnettu brändi herättää kuluttajassa luottamusta ja on näin lupau...

  3. Corrosion inhibition performance of a ionic liquid surfactant Br

    OpenAIRE

    Jing LIU; Dishun ZHAO; LIU, RAN; Wang, Ming; Peibing REN

    2016-01-01

    In order to study the novel green organic mercury-substituting inhibitors, the ionic liquid surfactant 1-methyl-3-dodecyl imidazole bromide ( Br) is synthesized with N-methyl imidazole and 1-bromodecane as raw materials. The corrosion inhibition of Br for zinc in zinc-manganese batteries is investigated using electrochemical methods and weight loss methods. The results show that corrosion inhibition efficiency increases with the increase of the concentration of Br, and when the concentration ...

  4. Brüssel Euroopa pealinnaks? / Ülar Mark

    Index Scriptorium Estoniae

    Mark, Ülar, 1968-

    2009-01-01

    Brüsseli Euroopa kvartali planeerimisvõistlusest, mille peakorraldaja oli Brüsseli pealinna piirkond koos Brüsseli linna ja Euroopa Komisjoniga. Eestist osales žüriis arhitekt Ülar Mark. Meeskonna Atelier Christian de Portzamparc võidutööst ja teiste teise vooru pääsenud nelja meeskonna (JDS / Julien De Smedt Architects, OMA / Office for Metropolitan Architecture, Xaveer De Geyter Architect, Fletcher Priest Architects) töödest

  5. MTR fuel testing in BR2

    International Nuclear Information System (INIS)

    New fuel design for MTR 's requires to be qualified under representative conditions, that is geometry, neutron spectrum, heat flux and thermo hydraulic conditions. An irradiation device for fuel plates has been designed to derive the maximum benefit from the BR2 irradiation capacities. The fuel plates can be easily extracted from their support during a shutdown to undergo additional tests. One of these tests is the measurement of the thickness changes along the fuel plate. To that purpose, a facility in the reactor water pool has been designed to measure the fuel swelling with an accuracy of 5 μm using inductive probes. At SCK-CEN, the full range of destructive and non-destructive PIE can be performed, including γ-scanning, wet sipping, surface examination and other methods. (author)

  6. Synthesis and structure of diorganotin dibromides, R2SnBr2 (R = 2,4,6-trimethylphenyl or 2,4,6-trimethylbenzyl): Hydrolysis of (2,4,6-Me3C6H2)2SnBr2

    Indian Academy of Sciences (India)

    Vadapalli Chandrasekhar; Ramalingam Thirumoorthi

    2010-09-01

    The reaction of SnBr4 with in situ generated 2,4,6-trimethylphenylmagnesium bromide afforded a mixture of (2,4,6-Me3C6H2)2SnBr2 (1) and (2,4,6-Me3C6H2)3SnBr (2) which could be separated from each other by their solubility differences in diethyl ether. On the other hand, the reaction of tin metal with 2,4,6-Me3C6H2CH2Br afforded (2,4,6-Me3C6H2CH2)2SnBr2 (3). Hydrolysis of the latter using triethylamine as the base afforded [{(2,4,6-Me3C6H2CH2)2Sn}2(-O)(Br)(-OH)]2.2CH2Cl2 (4) while the use of NaOH as the base afforded [{(2,4,6-Me3C6H2CH2)2Sn}2(-O)(OH)(-OH)]2.2CH2Cl2 (5). Compounds 4 and 5 are dimeric tetraorganodistannoxanes consisting of a central distannoxane (Sn2O2) motif.

  7. BrO measurements over the Eastern North-Atlantic

    Directory of Open Access Journals (Sweden)

    M. Martin

    2009-04-01

    Full Text Available The aim of the work presented here was to detect BrO in the marine boundary layer over the Eastern North-Atlantic by Multi AXis-Differential Optical Absorption Spectroscopy (MAX-DOAS of scattered sunlight. With this technique, information about the concentration and the vertical profile of trace gases in the atmosphere can be gained. BrO can be formed in the marine atmosphere by degradation of biogenic organohalogens or by oxidation of bromide in sea salt aerosol. BrO influences the chemistry in marine air in many was, e.g. since it catalytically destroys ozone, changes the NO2/NO-ratio as well as the OH/HO2-ratio and oxidises DMS. However, the abundance and the significance of BrO in the marine atmosphere are not yet fully understood. <br>> We report on data collected during a ship cruise, which took place along the West African Coast in February 2007, within the framework of the Surface Ocean PRocesses in the ANthropocene project (SOPRAN. Tropospheric BrO could be detected during this cruise at peak mixing ratios of (10.2±3.7 ppt at an assumed layer height of 1 km on 18 February 2007. Furthermore, it was found that the mean BrO concentrations increased when cruising close to the African Coast suggesting that at least part of the BrO might have originated from the African coast.

  8. BrO measurements over the Eastern North-Atlantic

    Directory of Open Access Journals (Sweden)

    U. Platt

    2009-12-01

    Full Text Available The aim of the work presented here was to detect BrO in the marine boundary layer over the Eastern North-Atlantic by Multi AXis-Differential Optical Absorption Spectroscopy (MAX-DOAS of scattered sunlight. With this technique, information about the concentration and the vertical profile of trace gases in the atmosphere can be gained. BrO can be formed in the marine atmosphere by degradation of biogenic organohalogens or by oxidation of bromide in sea salt aerosol. BrO influences the chemistry in marine air in many ways, e.g. since it catalytically destroys ozone, changes the NO2/NO-ratio as well as the OH/HO2-ratio and oxidises DMS. However, the abundance and the significance of BrO in the marine atmosphere is not yet fully understood. <br>> We report on data collected during a ship cruise, which took place along the West African Coast in February 2007, within the framework of the Surface Ocean PRocesses in the ANthropocene project (SOPRAN. Tropospheric BrO could be detected during this cruise at peak mixing ratios of (10.2±3.7 ppt at an assumed layer height of 1 km on 18 February 2007. Furthermore, it was found that the mean BrO concentrations increased when cruising close to the African Coast suggesting that at least part of the BrO might have originated from there.

  9. Kvinnors upplevelser av att leva med bröstcancer

    OpenAIRE

    Music, Sanela

    2010-01-01

    Bakgrund: Bröstcancer utgör en tredjedel av all cancer som kvinnor drabbas av. Tidigare studier indikerar att kvinnor upplever mycket starka känslor kring sjukdomen bröstcancer och att de har drabbats av den. Tanken av att förlora ett bröst är en av punkterna som bringar mycket ångest och lidande. Syfte: Syftet med studien är att belysa kvinnors upplevelser av att leva med bröstcancer. Metod: En litteraturstudie med självbiografiska böcker har utförts. Studiens syfte har besvarats genom att t...

  10. Brändin rakentaminen : case Dressing Mimia

    OpenAIRE

    Rinne, Helena

    2011-01-01

    Opinnäytetyö käsittelee sitä miten brändi rakennetaan ja mistä elementeistä brändikuva muodostuu. Tutkimuskohteena oli Dressing Mimia -tapahtuman brändikuva. Dressing Mimia -tapahtuma on poikkitaiteellinen muotinäytös ja cocktailtilaisuus, joka järjestetään kerran vuodessa Turussa. Työn tavoitteena oli selvittää millaisia mielikuvia tapahtuman asiakkailla on tapahtumasta sekä saada taustatietoa tapahtumassa kävijöistä. Tulosten perusteella voidaan kehittää Dressing Mimian brändiarvoa ja koota...

  11. Yrityksen brändin kehittäminen : Medbit Oy:n brändiuudistus

    OpenAIRE

    Salminen, Valtteri

    2016-01-01

    Opinnäytetyö tehtiin toimeksiantona ICT-alalla toimivalle Medbit Oy:lle. Yritys teki brändiuudistuksen vuoden 2015 alkupuolella ja halusi selvittää, miten asiakkaat, yhteistyökumppanit ja henkilökunta ovat ottaneet uudistuksen vastaan. Opinnäytetyössä perehdyttiin bränditutkimuksen lisäksi tutkimuksen kannalta olennaisiin aiheisiin brändin teoriasta. Brändiä käsittelevän tietoperustan avulla selvitettiin, mitä brändillä tarkoitetaan, millainen on hyvä brändi ja mitä hyötyjä siitä on yrityksel...

  12. Constitutional Isomerism of BiW6Cl15: (BiCl)[W6Cl14] and (BiCl2)[W6Cl13

    OpenAIRE

    Meyer, Hans-Juergen

    2009-01-01

    Abstract The compound (BiCl)[W6Cl14] was previously characterized as a product of the reduction of tungsten hexachloride with elemental bismuth. Another modification of BiW6Cl15 is now presented as (BiCl2)[W6Cl13], based on the results of an X-ray single crystal structure determination (space group P21/c, a = 1354.3(2) pm, b = 1234.4(2) pm, c = 1538.9(2) pm, and ? = 118.76(1) ?). The structure of (BiCl2)[W6Cl13] contains chains of [(W6Cl8i)Cl4aCl2/2a-a]- clusters bridged by chlorin...

  13. Optical pump-probe processes in Nd 3+ doped KPb2Br5, RbPb2Br5, and KPb2CI5

    International Nuclear Information System (INIS)

    Recently, laser activity has been achieved in the low phonon energy, moisture-resistant bromide host crystals, neodymium-doped potassium lead bromide (Nd3+:KPb2Br5) and rubidium lead bromide (Nd3+:RbPb2Br5). Laser activity at 1.07 (micro)m was observed for both crystalline materials. Laser operation at the new wavelengths 1.18 (micro)m and 0.97 (micro)m resulting from the 4F5/2+2H9/2 → 4IJ transitions (J=13/2 and 11/2) in Nd:RPB was achieved for the first time in a solid state laser material. In this paper we present cw pump-probe spectra in order to discuss excited state absorption, reabsorption processes due to the long lived lower laser levels as well as possible depopulation mechanisms feasible for more efficient laser operation in these crystals. The bromides will be compared with potassium lead chloride (Nd3+:KPb2Cl5)

  14. A novel instrument for measurements of BrO with LED based Cavity-Enhanced Differential Optical Absorption Spectoscopy

    Science.gov (United States)

    Hoch, D. J.; Buxmann, J.; Sihler, H.; Pöhler, D.; Zetzsch, C.; Platt, U.

    2013-07-01

    The chemistry of the troposphere and specifically the global tropospheric ozone budget is affected by reactive halogen species like Bromine monoxide (BrO) or Chlorine monoxide (ClO). Especially BrO plays an important role in the processes of ozone destruction, disturbance of NOx and HOx chemistry, oxidation of DMS, and the deposition of elementary mercury. In the troposphere BrO has been detected in polar regions, at salt lakes, in volcanic plumes, and in the marine boundary layer. For a better understanding of these processes field measurements as well as reaction-chamber studies are performed. In both cases instruments with high spatial resolution and high sensitivity are necessary. A Cavity Enhanced Differential Optical Absorption Spectroscopy (CE-DOAS) instrument with an open path measurement cell was designed and applied. For the first time, a CE-DOAS instrument is presented using an UV-LED in the 325-365 nm wavelength range. In laboratory studies, BrO as well as HONO, HCHO, O3, and O4, could be reliable determined at detection limits of 20 ppt for BrO, 9.1 ppb for HCHO, 970 ppt for HONO, and 91 ppb for O3, for five minutes integration time, respectively. The best detection limits were achieved for BrO (11 ppt), HCHO (5.1 ppb), HONO (490 ppt), and O3 (59 ppb) for integration times of 81 min or less. Comparison with established White-System DOAS and O3 monitor demonstrate the reliability of the instrument.

  15. A novel instrument for measurements of BrO with LED based Cavity-Enhanced Differential Optical Absorption Spectoscopy

    Directory of Open Access Journals (Sweden)

    D. J. Hoch

    2013-07-01

    Full Text Available The chemistry of the troposphere and specifically the global tropospheric ozone budget is affected by reactive halogen species like Bromine monoxide (BrO or Chlorine monoxide (ClO. Especially BrO plays an important role in the processes of ozone destruction, disturbance of NOx and HOx chemistry, oxidation of DMS, and the deposition of elementary mercury. In the troposphere BrO has been detected in polar regions, at salt lakes, in volcanic plumes, and in the marine boundary layer. For a better understanding of these processes field measurements as well as reaction-chamber studies are performed. In both cases instruments with high spatial resolution and high sensitivity are necessary. A Cavity Enhanced Differential Optical Absorption Spectroscopy (CE-DOAS instrument with an open path measurement cell was designed and applied. For the first time, a CE-DOAS instrument is presented using an UV-LED in the 325–365 nm wavelength range. In laboratory studies, BrO as well as HONO, HCHO, O3, and O4, could be reliable determined at detection limits of 20 ppt for BrO, 9.1 ppb for HCHO, 970 ppt for HONO, and 91 ppb for O3, for five minutes integration time, respectively. The best detection limits were achieved for BrO (11 ppt, HCHO (5.1 ppb, HONO (490 ppt, and O3 (59 ppb for integration times of 81 min or less. Comparison with established White-System DOAS and O3 monitor demonstrate the reliability of the instrument.

  16. An instrument for measurements of BrO with LED-based Cavity-Enhanced Differential Optical Absorption Spectroscopy

    Science.gov (United States)

    Hoch, D. J.; Buxmann, J.; Sihler, H.; Pöhler, D.; Zetzsch, C.; Platt, U.

    2014-01-01

    The chemistry of the troposphere and specifically the global tropospheric ozone budget is affected by reactive halogen species such as bromine monoxide (BrO) or chlorine monoxide (ClO). Especially BrO plays an important role in the processes of ozone destruction, disturbance of NOx and HOx chemistry, oxidation of dimethyl sulfide (DMS), and the deposition of elementary mercury. In the troposphere BrO has been detected in polar regions, at salt lakes, in volcanic plumes, and in the marine boundary layer. For a better understanding of these processes, field measurements as well as reaction chamber studies are performed. In both cases instruments with high spatial resolution and high sensitivity are necessary. A Cavity-Enhanced Differential Optical Absorption Spectroscopy (CE-DOAS) instrument with an open path measurement cell was designed and applied. For the first time, a CE-DOAS instrument is presented using an UV LED in the 325-365 nm wavelength range. In laboratory studies, BrO as well as HONO, HCHO, O3, and O4 could be reliably determined at detection limits of 20 ppt for BrO, 9.1 ppb for HCHO, 970 ppt for HONO, and 91 ppb for O3, for five minutes integration time. The best detection limits were achieved for BrO (11 ppt), HCHO (5.1 ppb), HONO (490 ppt), and O3 (59 ppb) for integration times of 81 minutes or less. Comparison with established White system (WS) DOAS and O3 monitor measurements demonstrate the reliability of the instrument.

  17. Algunos aspectos demográficos, clínicos y de laboratorio en un grupo de pacientes con leptospirosis

    Directory of Open Access Journals (Sweden)

    Edilma Jaramillo

    2001-04-01

    Full Text Available La leptospirosis es una zoonosis de distribución mundial transmitida<br />por mamíferos domésticos y salvajes, cuya presentación clínica va desde un cuadro benigno hasta una falla multisitémica1-2. Nuestro objetivo fue describir el perfil sociodemográfico, clínico y de laboratorio de pacientes a los que se les hizo diagnóstico de leptospirosis.

  18. High 36Cl/Cl ratios in Chernobyl groundwater

    International Nuclear Information System (INIS)

    After the explosion of the Chernobyl Nuclear Power Plant in April 1986, contaminated material was buried in shallow trenches within the exclusion zone. A 90Sr plume was evidenced downgradient of one of these trenches, trench T22. Due to its conservative properties, 36Cl is investigated here as a potential tracer to determine the maximal extent of the contamination plume from the trench in groundwater. 36Cl/Cl ratios measured in groundwater, trench soil water and leaf leachates are 1–5 orders of magnitude higher than the theoretical natural 36Cl/Cl ratio. This contamination occurred after the Chernobyl explosion and currently persists. Trench T22 acts as an obvious modern point source of 36Cl, however other sources have to be involved to explain such contamination. 36Cl contamination of groundwater can be explained by dilution of trench soil water by uncontaminated water (rainwater or deep groundwater). With a plume extending further than that of 90Sr, radionuclide which is impacted by retention and decay processes, 36Cl can be considered as a suitable tracer of contamination from the trench in groundwater provided that modern release processes of 36Cl from trench soil are better characterized. - Highlights: • High 36Cl/Cl ratios measured in the Chernobyl Pilot Site groundwater. • Trench T22 acts as a modern source of groundwater contamination by 36Cl but other sources are involved. • Contamination results from dilution of a contaminated “T22” soil water with rainwater. • Processes involved in the modern release need to be investigated

  19. Corrosion inhibition performance of a ionic liquid surfactant Br

    Directory of Open Access Journals (Sweden)

    Jing LIU

    2016-02-01

    Full Text Available In order to study the novel green organic mercury-substituting inhibitors, the ionic liquid surfactant 1-methyl-3-dodecyl imidazole bromide ( Br is synthesized with N-methyl imidazole and 1-bromodecane as raw materials. The corrosion inhibition of Br for zinc in zinc-manganese batteries is investigated using electrochemical methods and weight loss methods. The results show that corrosion inhibition efficiency increases with the increase of the concentration of Br, and when the concentration is higher than 8×10-3 mol/L, the inhibition efficiency tends to be stable. The polarization curve shows that Br belongs to mixed-type corrosion inhibitor. The thermodynamic parameters show that Br is spontaneously adsorbed on the zinc surface, forming a monomolecular adsorption layer, which fits with Langmuir adsorption isotherm with physical and chemical adsorption mechanism.

  20. 75 FR 30740 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B16 (CL-604 Variants (Including CL-605...

    Science.gov (United States)

    2010-06-02

    ... Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic impact, positive or... Directives; Bombardier, Inc. Model CL-600-2B16 (CL- 604 Variants (Including CL-605 Marketing Variant... addition to Bombardier Inc. Models CL-600-2B19, CL-600-2C10 and CL-600-2D24. The latter three models...

  1. 76 FR 477 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2A12 (CL-601) and CL-600-2B16 (CL-601-3A...

    Science.gov (United States)

    2011-01-05

    ... Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic.... Model CL-600-2A12 (CL- 601) and CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-604 Variants) Airplanes AGENCY... applicability of the directive for CL-600-2A12 aircraft, serial numbers 3001 through 3066, and for CL-...

  2. 76 FR 66203 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-604...

    Science.gov (United States)

    2011-10-26

    ... Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic.... Model CL-600-2B16 (CL- 601-3A, CL-601-3R, and CL-604 Variants) Airplanes AGENCY: Federal Aviation... Bombardier, Inc. Model CL-600-2B16 (CL- 601-3A, CL-601-3R, and CL-604 Variants) airplanes, certificated...

  3. 76 FR 6536 - Airworthiness Directives; Bombardier, Inc. Model CL-215-1A10 (CL-215), CL-215-6B11 (CL-215T...

    Science.gov (United States)

    2011-02-07

    ... products. That NPRM was published in the Federal Register on November 9, 2010 (75 FR 68728). That NPRM... Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant.... Model CL-215-1A10 (CL- 215), CL-215-6B11 (CL-215T Variant), and CL-215-6B11 (CL-415 Variant)...

  4. Structural and magnetic properties of the mixed quantum antiferromagnet Cs2CuCl4-xBrx

    International Nuclear Information System (INIS)

    The two compounds, Cs2CuCl4 and Cs2CuBr4, have been classified as quasi-two-dimensional quantum antiferromagnets. Cs2CuCl4 shows long-range magnetic order, which can be described as a Bose-Einstein condensation of magnons, i.e., delocalized triplet excitations, whereas the iso-structural compound Cs2CuBr4, exhibits plateaus in the magnetization, indicating the localization of triplets. Here we present a systematic study of the magnetic properties in the Cs2CuCl4-xBrx (0 ≤ x≤ 4) mixed system. All crystals were synthesized by a solution-growth method. Two structural variants - an A-type orthorhombic and a B-type tetragonal - were detected in this system depending on the growth conditions. A detailed structural phase diagram has been constructed, based on X-ray Rietveld refinement, SEM and thermal analysis. χ(T) measurements of crystals near the end members of the series reveal a broad maximum at Tmax indicative of quasi-2D short range correlations. While for the Cl-rich system 0≤x≤0.8, Tmax slightly increases with increasing Br-, a much stronger increase of Tmax.is observed for the Br-rich system for 2.8≤x≤4.0.

  5. Hidden Brønsted acid catalysis: pathways of accidental or deliberate generation of triflic acid from metal triflates.

    Science.gov (United States)

    Dang, Tuan Thanh; Boeck, Florian; Hintermann, Lukas

    2011-11-18

    The generation of a hidden Brønsted acid as a true catalytic species in hydroalkoxylation reactions from metal precatalysts has been clarified in case studies. The mechanism of triflic acid (CF(3)SO(3)H or HOTf) generation starting either from AgOTf in 1,2-dichloroethane (DCE) or from a Cp*RuCl(2)/AgOTf/phosphane combination in toluene has been elucidated. The deliberate and controlled generation of HOTf from AgOTf and cocatalytic amounts of tert-butyl chloride in the cold or from AgOTf in DCE at elevated temperatures results in a hidden Brønsted acid catalyst useful for mechanistic control experiments or for synthetic applications. PMID:22010906

  6. Bränditutkimus Etelä-Pohjanmaan Osuuspankille

    OpenAIRE

    Jämbäck, Anna-Leena

    2013-01-01

    Opinnäytetyön tarkoituksena oli tutkia Etelä-Pohjanmaan Osuuspankin brändiä sen 20–30-vuotiaiden asiakkaiden näkökulmasta. Ensimmäisenä tavoitteena oli perehtyä brändeihin. Opinnäytetyön toisena tavoitteena oli bränditutkimuksen toteuttaminen EPOP:n 20–30-vuotiaille asiakkaille, jotta saataisiin selville millaiseksi se koetaan eri osa-alueilla sekä kokonaisuutena nuorten aikuisten keskuudessa. Kolmantena tavoitteena oli pohtia tutkimustulosten perusteella uusia ideoita organisaation markkinoi...

  7. Inhibition of hydrogen oxidation by HBr and Br2

    DEFF Research Database (Denmark)

    Dixon-Lewis, Graham; Marshall, Paul; Ruscic, Branko;

    2012-01-01

    on laminar, premixed hydrogen flames. Our work shows that hydrogen bromide and molecular bromine act differently as inhibitors in flames. For HBr, the reaction HBr+H⇌H2+Br (R2) is rapidly equilibrated, depleting HBr in favor of atomic Br, which is the major bromine species throughout the reaction zone......O. Ab initio calculations were used to obtain rate coefficients for selected reactions of HBr and HOBr, and the hydrogen/bromine/oxygen reaction mechanism was updated. The resulting model was validated against selected experimental data from the literature and used to analyze the effect of HBr and Br2...

  8. Selected Femme / Homme - brändin lanseeraus Suomen markkinoille

    OpenAIRE

    Saarinen, Saila

    2009-01-01

    Tanskalaisomistuksessa oleva, kansainvälinen muotitalo Bestseller A/S lanseerasi uuden Selec-ted Femme / Homme - brändin Suomen markkinoille lokakuussa 2008. Tuotemerkin vali-koimiin kuuluu naisten ja miesten vaatteet, asusteet sekä jalkineet. Mallistoista on tuotteita arkeen ja juhlaan. Niissä yhdistyvät hyvän hinta laatu-suhteen lisäksi trendikkyys. Opinnäytetyössä tarkasteltiin brändin ensimmäisen unisex -myymälän lanseerausta kuluttajil-le. Työn tarkoitus oli tutkia uuden brändin ide...

  9. On some questions of Fisk and Br\\"and\\'en

    CERN Document Server

    Yoshida, Rintaro

    2010-01-01

    P. Br\\"and\\'en recently proved a conjecture due to S. Fisk, R. P. Stanley, P. R. W. McNamara and B. E. Sagan. In addition, P. Br\\"and\\'en gave a partial answer to a question posed by S. Fisk regarding the distribution of zeros of polynomials under the action of certain non-linear operators. In this paper, we give an extension to a result of P. Br\\"and\\'en, and we also answer a question posed by S. Fisk.

  10. ClEST cluster :Cl_singleton0355 [ClEST

    Lifescience Database Archive (English)

    Full Text Available Cl_singleton0355 acyl- synthetase long- isoform b Cimex lectularius nuclear gene 19...GGAAGGTGCATTGGGAGCAATAAAAGCGATCGCATTTGTCTGTGATATCATCACTTATCCAGTGTACCTTATTCTACAACGGCCATGGG fb18010 1 acyl-CoA synthetase [Gl

  11. ClEST cluster :Cl_singleton0763 [ClEST

    Lifescience Database Archive (English)

    Full Text Available Cl_singleton0763 aldo-keto reductase Cimex lectularius nuclear gene 591 CACCGGGTAGG...GTGAATAAAGGCTTAGTTAGGTCAATCGGACTATCCAATTTCAACAAAAGACAGATCGAAGATGTTT fs09012 1 aldo-keto reductase [Gl

  12. Equilibrium reconstruction in the TCA/Br tokamak; Reconstrucao do equilibrio no tokamak TCA/BR

    Energy Technology Data Exchange (ETDEWEB)

    Sa, Wanderley Pires de

    1996-12-31

    The accurate and rapid determination of the Magnetohydrodynamic (MHD) equilibrium configuration in tokamaks is a subject for the magnetic confinement of the plasma. With the knowledge of characteristic plasma MHD equilibrium parameters it is possible to control the plasma position during its formation using feed-back techniques. It is also necessary an on-line analysis between successive discharges to program external parameters for the subsequent discharges. In this work it is investigated the MHD equilibrium configuration reconstruction of the TCA/BR tokamak from external magnetic measurements, using a method that is able to fast determine the main parameters of discharge. The thesis has two parts. Firstly it is presented the development of an equilibrium code that solves de Grad-Shafranov equation for the TCA/BR tokamak geometry. Secondly it is presented the MHD equilibrium reconstruction process from external magnetic field and flux measurements using the Function Parametrization FP method. this method. This method is based on the statistical analysis of a database of simulated equilibrium configurations, with the goal of obtaining a simple relationship between the parameters that characterize the equilibrium and the measurements. The results from FP are compared with conventional methods. (author) 68 refs., 31 figs., 16 tabs.

  13. BR2: Some aspects of structural mechanics

    International Nuclear Information System (INIS)

    This article discusses some of the important aspects of structural mechanics of BR2, namely: the follow-up of the beryllium matrix and of the reactor vessel and the seismic qualification. According the licence, a follow up program for the beryllium matrix is mandatory. This inspection is necessary because of the swelling of beryllium during irradiation. Due to this swelling, the individual beryllium blocks make contact between each other. This results in mechanical stresses and, because beryllium is a brittle material, cracks. At regular intervals inspection are made to evaluate the evolution of the swelling and the cracks. The maximum allowed neutron fluence is 6.4 1022 fast neutrons (energy more than 1 MeV) per cm2 . After this time the matrix has to be replaced. This has been done already twice. During the replacement an inspection of the reactor pressure vessel must be made. Last inspection was performed in 1996, using ultrasonic and eddy current inspections. On this occasion a fracture mechanics calculation was made and the minimum allowed fracture toughness of material was determined. Since very little information on irradiated aluminium 5052-O is available, a number of samples were cut out of a second wall around the vessel. This aluminium had received nearly the fluence. Out of the samples test pieces (tensile and charpy) were made. A number of them were tested immediately, while the other was loaded in the reactor for accelerated irradiation. In this way a material follow up program was started. This program still continues. During the period safety reassessment the authorities requested a seismic qualification. It was decided to make a full dynamic calculation, with input a 0.1g zero period peak ground acceleration and a regulatory guide 1.60 spectrum. The installation can withstand this earthquake, considered as a safe shutdown earthquake. A few structural reinforcements were necessary. The main ones were the primary piping outside the containment

  14. LiikeAkatemian brändimielikuvan tutkiminen ja brändin kehittäminen

    OpenAIRE

    Petäsnoro, Iida-Mari; Rajala, Emilia

    2014-01-01

    Toteutamme opinnäytetyömme Lapin ammattikorkeakoulussa Tornion kampuksella toimivalle LiikeAkatemialle, jossa opiskellaan käytännönläheisesti tiimiyrityksissä. Tavoitteenamme on tutkia LiikeAkatemian aikaisempaa brändimarkkinointia, ja sen vaikutusta nykyisen brändimielikuvan tilaan liiketalouden opettajien ja opiskelijoiden keskuudessa. Näiden tutkimustulosten perusteella esitämme brändin kehittämiseen liittyviä kehitysideoita. Työn teoreettinen viitekehys on koottu aiheeseen liittyvästä...

  15. A novel human Cl(-) channel family related to Drosophila flightless locus.

    Science.gov (United States)

    Suzuki, Makoto; Mizuno, Atsuko

    2004-05-21

    Large conductance chloride (maxi-Cl(-)) currents have been recorded in some cells, but there is still little information on the molecular nature of the channel underlying this conductance. We report here that tweety, a gene located in Drosophila flightless, has a structure similar to those of known channels and that human homologues of tweety (hTTYH1-3) are novel maxi-Cl(-) channels. hTTYH3 mRNA was found to be distributed in excitable tissues. The whole cell current of hTTYH3 was large enough to be discriminated from the control but emerged only after treatment with ionomycin. Analysis of pore mutants suggested that positively charged amino acids contributed to anion selectivity. Like a maxi-Cl(-) channel in situ, the hTTYH3 single channel showed 26-picosiemen linear current voltage, complex kinetics, 4,4'-diisothiocyanato-stilbene-2,2'-disulfonic acid sensitivity, subconductance, and the permeability order of I(-) > Br(-) > Cl(-). Similarly, hTTYH2 encoded an ionomycin-induced maxi-Cl(-) channel, but TTYH1 encoded a Ca(2+)-independent and swelling-activated maxi-Cl(-) channel. Therefore, the hTTYH family encoded maxi-Cl(-) channels of mammals. Further studies on the hTTYH family should lead to the elucidation of physiological and pathophysiological roles of novel Cl(-) channel molecules. PMID:15010458

  16. Chiral Brønsted Acids for Asymmetric Organocatalysis

    Science.gov (United States)

    Kampen, Daniela; Reisinger, Corinna M.; List, Benjamin

    Chiral Brønsted acid catalysis is an emerging area of organocatalysis. Since the pioneering studies of the groups of Akiyama and Terada in 2004 on the use of chiral BINOL phosphates as powerful Brønsted acid catalysts in asymmetric Mannich-type reactions, numerous catalytic asymmetric transformations involving imine activation have been realized by means of this catalyst class, including among others Friedel-Crafts, Pictet-Spengler, Strecker, cycloaddition reactions, transfer hydrogenations, and reductive aminations. More recently, chiral BINOL phosphates found application in multicomponent and cascade reactions as for example in an asymmetric version of the Biginelli reaction. With the introduction of chiral BINOL-derived N-triflyl phosphoramides in 2006, asymmetric Brønsted acid catalysis is no longer restricted to reactive substrates. Also certain carbonyl compounds can be activated through these stronger Brønsted acid catalysts. In dealing with sensitive substrate classes, chiral dicarboxylic acids proved of particular value.

  17. Brüssel - unistus Euroopa pealinnast / Kristi Grishakov

    Index Scriptorium Estoniae

    Grishakov, Kristi

    2008-01-01

    Brüsseli linnaplaneerimise ajaloost, linnaehituslikest ja sotsiaalset laadi probleemidest, võimalikust tulevikust Euroopa pealinnana. Berlage Instituudi näitusest "A Vision for Brussels" Bozari kunstikeskuses

  18. GMO konverents Brüsselis / Nastja Pertsjonok

    Index Scriptorium Estoniae

    Pertsjonok, Nastja

    2007-01-01

    Brüsselis toimunud GMO-vabade piirkondade konverentsist, kus räägiti GMO-vabade piirkondade liikumisest, GMO-de lubamisest ja keelamisest ning hoiakutest nende suhtes Euroopa Liidus ja mujal maailmas

  19. Traian Brăileanu în documente (I

    Directory of Open Access Journals (Sweden)

    Radu-Florian Bruja

    2006-11-01

    Full Text Available A Romanian’s politician from Bukovina, Traian Brăileanu agreed the idea of possible activities of former political parties. Although he was a regional party, his activity was oriented to complete the unification and consolidation of Romania. Traian Brăileanu was a sociologist and doctor Professor at University of Cernăuţi. A polyglot, TraianBrăileanu has known the Greek and German’s philosophy. He has begun his political activity in People’s Party, then in League of National and Christian Protection and finally in The Legionary Movement. We bring bock into scientific circuit some documents from the personal records of Traian Brăileanu. This documents covering the period 1920-1921 on the ground of some investigations archirved by the author from Cernăuţi, Ukraina.

  20. Kan lignin omdannes til flydende brændstof?

    DEFF Research Database (Denmark)

    Nielsen, Joachim Bachmann; Jensen, Anders; Felby, Claus;

    2015-01-01

    Ved en solvolytisk omdannelse af plantematerialet lignin til et flydende brændstof behandles det ved høj temperatur og højt tryk i et passende opløsningsmiddel. En sådan proces kan gennemføres ikke-katalytisk og være med til at skabe flydende brændsler baseret på vedvarende energikilder. Her...

  1. Molecular symmetry and isostructural relations in crystal phases of trihalomethanes CHCl3, CHBrCl2, CHBr2Cl, and CHBr3.

    Science.gov (United States)

    Dziubek, Kamil; Podsiadło, Marcin; Katrusiak, Andrzej

    2009-10-01

    Bromodichloromethane (CHBrCl(2)), dibromochloromethane (CHBr(2)Cl), and their parent trihalomethanes, chloroform (CHCl(3)) and bromoform (CHBr(3)), form an intriguing series of isostructural crystal phases, the sequence of which depends on the Br/Cl substitution and thermodynamic conditions. The phase behavior of these compounds has been studied by isobaric calorimetry and isothermal compression, and the crystal structure of CHBrCl(2) has been determined at 0.10 MPa/200 K, 0.73, 1.26, 2.53 GPa (all at 295 K), and that of CHBr(2)Cl at 0.43, 1.24 GPa (all at 295 K). CHBrCl(2) frozen by isobaric cooling at 0.10 MPa crystallizes in space group P1 with Z = 2, while its high-pressure polymorph in space group Pnma (Z = 4) is stable at 295 K from its freezing pressure at 0.48 to at least 2.53 GPa. At the freezing pressure of 0.29 GPa, CHBr(2)Cl crystallizes in space group P6(3), with Z = 2, and at 1.27 GPa, it transforms to the orthorhombic structure, space group Pnma (Z = 4); CHCl(3) has the identical symmetries, but their reverse sequence was observed. A subtle isostructural phase transition has been observed at 0.10 MPa and 214.9 K in CHBr(2)Cl. The relations between isostructural phases, their symmetry, and site occupation factors of halogen atoms observed in the low-temperature and high-pressure phases of trihalomethanes (CHCl(3), CHBrCl(2), CHBr(2)Cl, and CHBr(3)) have been explained by the directional character of electrostatic interactions between the molecules. A gradual ordering of the disordered Br and Cl atoms has been achieved in the compressed crystals, where the narrower volume of the atomic sites correlates with the increased occupancy of the smaller atom (chlorine). The molecular symmetry has been shown to control the molecular aggregation in the crystalline state, consistent with the crystal site-symmetry and the balance of electrostatic matching and dispersion forces between molecules. PMID:19743834

  2. Application of TlBr to nuclear medicine imaging

    Science.gov (United States)

    Cirignano, Leonard; Kim, Hadong; Kargar, Alireza; Churilov, Alexei V.; Ciampi, Guido; Higgins, William; Kim, Suyoung; Barber, Bradford; Haston, Kyle; Shah, Kanai

    2012-10-01

    Thallium bromide (TlBr) has been under development for room temperature gamma ray spectroscopy due to high density, high Z and wide bandgap of the material. Furthermore, its low melting point (460 °C), cubic crystal structure and congruent melting with no solid-solid phase transitions between the melting point and room temperature, TlBr can be grown by relatively simple melt based methods. As a result of improvements in material processing and detector fabrication over the last several years, TlBr with electron mobility-lifetime products (μeτe) in the mid 10-3 cm2/V range has been obtained. In this paper we are going to report on our unipolar charging TlBr results for the application as a small animal imaging. For SPECT application, about 5 mm thick pixellated detectors were fabricated and tested. About 1 % FWHM at 662 keV energy resolution was estimated at room temperature. By applying the depth correction technique, less than 1 % energy resolution was estimated. We are going to report the results from orthogonal strip TlBr detector for PET application. In this paper we also present our latest detector highlights and recent progress made in long term stability of TlBr detectors at or near room temperature. This work is being supported by the Domestic Nuclear Detection Office (DNDO) and the Department of Energy (DOE).

  3. Ca2+-Doped CeBr3 Scintillating Materials

    Energy Technology Data Exchange (ETDEWEB)

    Guss, Paul [NSTec; Foster, Michael E. [SNL; Wong, Bryan M. [SNL; Doty, F. Patrick [SNL; Shah, Kanai [RMD; Squillante, Michael R. [RMD; Shirwadkar, Urmila [RMD; Hawrami, Rastgo [RMD; Tower, Josh [RMD; Yuan, Ding [NSTec

    2014-01-01

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide, their commercial availability and application are limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. This investigation employed aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was used as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were studied using the density functional theory within the generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  4. Carcinoma mucoepidermoide da traqueia mimetizando asma brônquica Mucoepidermoid carcinoma of the trachea mimicking asthma

    OpenAIRE

    Ricardo Kalaf Mussi; Ivan Felizardo Contrera Toro; Mônica Corso Pereira

    2009-01-01

    Em casos de asma de início recente em que o controle clínico com tratamento habitual (corticosteroide e broncodilatador) é insatisfatório, é importante considerar outros diagnósticos, tais como insuficiência cardíaca congestiva, refluxo gastroesofágico ou outras formas de obstrução das vias aéreas. Relatamos o caso de uma paciente do sexo feminino com carcinoma mucoepidermoide da traqueia mimetizando um quadro de asma brônquica. A paciente apresentava tosse e sibilância, bem como espirometria...

  5. OpenCL programming guide

    CERN Document Server

    Munshi, Aaftab; Mattson, Timothy G; Fung, James; Ginsburg, Dan

    2011-01-01

    Using the new OpenCL (Open Computing Language) standard, you can write applications that access all available programming resources: CPUs, GPUs, and other processors such as DSPs and the Cell/B.E. processor. Already implemented by Apple, AMD, Intel, IBM, NVIDIA, and other leaders, OpenCL has outstanding potential for PCs, servers, handheld/embedded devices, high performance computing, and even cloud systems. This is the first comprehensive, authoritative, and practical guide to OpenCL 1.1 specifically for working developers and software architects. Written by five leading OpenCL authorities, OpenCL Programming Guide covers the entire specification. It reviews key use cases, shows how OpenCL can express a wide range of parallel algorithms, and offers complete reference material on both the API and OpenCL C programming language. Through complete case studies and downloadable code examples, the authors show how to write complex parallel programs that decompose workloads across many different devices. They...

  6. Magnetic transitions in botallackite-structure Cu{sub 2}(OH){sub 3}Br and Cu{sub 2}(OH){sub 3}I

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, X.G., E-mail: zheng@cc.saga-u.ac.j [Department of Physics, Faculty of Science and Engineering, Saga University, Saga 840-8502 (Japan); Department of Physics, School of Engineering, Saga University, Saga 840-8502 (Japan); Yamashita, T.; Hagihala, M.; Fujihala, M. [Department of Physics, School of Engineering, Saga University, Saga 840-8502 (Japan); Kawae, T. [Department of Applied Quantum Physics, Faculty of Engineering, Kyushu University, Fukuoka 812-8581 (Japan)

    2009-04-15

    The deformed pyrochlore lattice compound clinoatacamite, Cu{sub 2}(OH){sub 3}Cl, shows intriguing magnetism and 1/4 substitution of Cu with nonmagnetic Zn leads to the two-dimensional kagome lattice ZnCu{sub 3}Cl{sub 2}(OH){sub 6} that exhibits spin liquid behaviour. These findings renewed interest in botallackite Cu{sub 2}(OH){sub 3}Cl, which is a polymorphous structure of clinoatacamite Cu{sub 2}(OH){sub 3}Cl possessing a two-dimensional triangular lattice. The present work investigates the effect of halogen ions on the magnetic transitions in the botallackite structure. Similar to the antiferromagnetic Cu{sub 2}(OH){sub 3}Cl (T{sub N}=7.2 K), Cu{sub 2}(OH){sub 3}Br and Cu{sub 2}(OH){sub 3}I both showed antiferromagnetic transitions at T{sub N}=10 and 14 K, respectively. Long-range order also exists in Cu{sub 2}(OH){sub 3}Br as exemplified by the muSR study. The experimental results suggest that the magnetic coupling on the triangular lattice is dominated by the super-exchange interaction through the halogen ions. Further detailed comparison studies on these botallackite-structure compounds are expected to clarify the spin configuration on this triangular lattice.

  7. Ca2+ transport properties of ionophores A23187, ionomycin, and 4-BrA23187 in a well defined model system.

    OpenAIRE

    Erdahl, W L; Chapman, C J; Taylor, R.W.; Pfeiffer, D R

    1994-01-01

    Models for the electroneutral transport of Ca2+ by ionophores A23187, ionomycin, and 4-BrA23187 have been tested in a defined system comprised of 1-palmitoyl-2-oleoyl-sn-glycerophosphatidylcholine vesicles prepared by freeze-thaw extrusion. Quin-2-loaded and CaCl2-loaded vesicles were employed to allow the investigation of transport in both directions. Simultaneous or parallel measurements of H+ transport and membrane potential, respectively, indicate that for any of these ionophores, electro...

  8. Evolución de la gestión clínica en cuidados intensivos. Reflexiones desde la perspectiva del especialista

    Directory of Open Access Journals (Sweden)

    Pérez Arancón, José Luis

    2001-10-01

    Full Text Available Not available<br>>Para un especialista la preparación clínica, diagnóstica y terapéutica eran el núcleo central de su formación. Además se hace preciso el aprendizaje de otras habilidades. Según el autor éstas se centran en dos aspectos: fundamentar científicamente las decisiones tomadas y adecuar sus costes en función de los objetivos a cubrir Ambas se sitúan en la base de lo que será la gestión clínica.

  9. Wavelength calculation of highly stripped ions S10+→S13+, Br23+, Br24+, Ge20+, Ge21+

    International Nuclear Information System (INIS)

    Wavelengths of highly stripped ions S10+ →S13+ , Br23+ , Br24+ , Ge20+ , Ge21+ are calculated by means of GRASP code. The calculations are performed based on multiconfiguration Dirac-Fock technique. Corrections to the energy levels due to the retarded Coulomb interaction (Breit interaction) and the polarization of the vacuum by the nuclear distribution and electron self-energy are included in a perturbation approximation. Comparisons with the new experimental data by CIAE group are presented

  10. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    OpenAIRE

    Dorf, M.; H. Bösch; Butz, A.; Camy-Peyret, C.; Chipperfield, M. P.; Engel, A.; Goutail, F.; Grunow, K.; Hendrick, F.; Hrechanyy, S.; B. Naujokat; J.-P. Pommereau; Van Roozendael, M.; C. Sioris; F. Stroh

    2006-01-01

    For the first time, results of four stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM). Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY) satellite instrument. The balloon observations include (a) balloon-borne in situ ...

  11. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    OpenAIRE

    Dorf, M.; H. Bösch; Butz, A.; Camy-Peyret, C.; Chipperfield, M. P.; Engel, A.; Goutail, F.; Grunow, K.; Hendrick, F.; Hrechanyy, S.; B. Naujokat; J.-P. Pommereau; Van Roozendael, M.; C. Sioris; F. Stroh

    2005-01-01

    For the first time, results of all four existing stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM). Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY) satellite instrument. The balloon observations include (a) balloon-b...

  12. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    OpenAIRE

    Dorf, M.; H. Bösch; Butz, A.; Camy-Peyret, C.; Chipperfield, M. P.; Engel, A.; Goutail, F.; Grunow, K.; Hendrick, F.; Hrechanyy, S.; B. Naujokat; Pommereau, J.-P.; Van Roozendael, M.; C. Sioris; F. Stroh

    2005-01-01

    International audience For the first time, results of all four existing stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM). Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY) satellite instrument. The balloon observat...

  13. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    OpenAIRE

    Dorf, M.; H. Bösch; Butz, A.; Camy-Peyret, C.; Chipperfield, M. P.; Engel, A.; Goutail, F.; Grunow, K.; Hendrick, F.; Hrechanyy, S.; B. Naujokat; Pommereau, J.-P.; Van Roozendael, M.; C. Sioris; F. Stroh

    2006-01-01

    International audience For the first time, results of four stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM). Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY) satellite instrument. The balloon observations include ...

  14. Balloon-borne stratospheric BrO measurements : comparison with Envisat/SCIAMACHY BrO limb profiles

    OpenAIRE

    Dorf, Marcel; Bösch, Hartmut; BUTZ Andre; Camy-Peyret, Claude C.; Chipperfield, Martyn P.; Engel, Andreas; Goutail, Florence; Grunow, Katja; Hendrick, François; Hrechanyy, Serhiy; Naujokat, Barbara; Pommereau, Jean-Pierre; Van Roozendael, Michel; Sioris, Christopher E.; Stroh, Fred

    2005-01-01

    For the first time, results of all four existing stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM). Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY) satellite instrument. The balloon observations include (a) balloon-b...

  15. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    OpenAIRE

    Dorf, Marcel; Bösch, Hartmut; BUTZ Andre; Camy-Peyret, Claude C.; Chipperfield, Martyn P.; Engel, Andreas; Goutail, Florence; Grunow, Katja; Hendrick, François; Hrechanyy, Serhiy; Naujokat, Barbara; Pommereau, Jean-Pierre; Van Roozendael, Michel; Sioris, Christopher E.; Stroh, Fred

    2006-01-01

    For the first time, results of all four existing stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM). Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY) satellite instrument. The balloon observations include (a) balloon-b...

  16. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    OpenAIRE

    Dorf, M.; H. Bösch; B. Naujokat; Pommereau, J. P.; Van Roozendael, M.; C. Sioris; F. Stroh; Weidner, F.; K. Pfeilsticker; Butz, A.; Camy-Peyret, C.; Chipperfield, M. P.; Engel, A.; Goutail, F.; Grunow, K.

    2006-01-01

    For the first time, results of four stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM). Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY) satellite instrument. The balloon observations include ( a) balloon-borne in situ...

  17. 76 FR 59067 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-604...

    Science.gov (United States)

    2011-09-23

    ... ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3.... Model CL-600-2B16 (CL- 601-3A, CL-601-3R, and CL-604 Variants) Airplanes AGENCY: Federal Aviation...) events have occurred where the Air-Driven Generator (ADG) failed to provide power on CL-600-2B19...

  18. Photodissociation Dynamics of C{sub 6}F{sub 5}Br at 234 nm: Fluorination Effects on Br/Br{sup *} Formation Pathways

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Dababrata; Kim, Hyun Kook; Kim, Tae Kyu [Pusan National Univ., Busan (Korea, Republic of)

    2013-03-15

    Photodissociation dynamics of organic halides has been extensively investigated due to its potential to the stratosphere ozone depletion and relevant environmental problems. For example, alkyl bromide as the simplest organic halides has been used for model of photodissociation dynamics. The A-band of alkyl bromide arises from the C-Br bond localized σ{sup *} → n transition and consists of three overlapping transitions to repulsive states ({sup 3}Q{sub 1}, {sup 3}Q{sub 0}, and {sup 1}Q{sub 1}: on ascending order of excitation energy). The dominant transition in the A-band is to the {sup 3}Q{sub 0+} state which correlates to the Br{sup *}({sup 2}P{sub 1/2}) products, suggesting the spin-orbit ground Br({sup 2}P{sub 3/2}) atom formation arises as a results of nonadiabatic coupling between the {sup 3}Q{sub 0+} and {sup 2}Q{sub 1} PESs via a conical intersection along the C. Br bond coordinate.

  19. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    Directory of Open Access Journals (Sweden)

    M. Dorf

    2005-12-01

    Full Text Available For the first time, results of all four existing stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM. Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY satellite instrument. The balloon observations include (a balloon-borne in situ resonance fluorescence detection of BrO, (b balloon-borne solar occultation DOAS measurements (Differential Optical Absorption Spectroscopy of BrO in the UV, and (c BrO profiling from the solar occultation SAOZ (Systeme d'Analyse par Observation Zenithale balloon instrument. Since stratospheric BrO is subject to considerable diurnal variation and none of the measurements are performed close enough in time and space for a direct comparison, all balloon observations are considered with reference to outputs from the 3-D CTM. The referencing is performed by forward and backward air mass trajectory calculations to match the balloon with the satellite observations. The diurnal variation of BrO is considered by 1-D photochemical model calculation along the trajectories. The 1-D photochemical model is initialised with output data of the 3-D model with additional constraints on the vertical transport, the total amount and photochemistry of stratospheric bromine as given by the various balloon observations. Total [Bry]=(20.1±2.8pptv obtained from DOAS BrO observations at mid-latitudes in 2003, serves as an upper limit of the comparison. Most of the balloon observations agree with the photochemical model predictions within their given error estimates. First retrieval exercises of BrO limb profiling from the SCIAMACHY satellite instrument agree to <±50% with the photochemically-corrected balloon observations, and tend to show less agreement

  20. Perceptions of breath alcohol concentration (BrAC) levels among a sample of bar patrons with BrAC values of 0.08% or higher.

    Science.gov (United States)

    Martin, Ryan J; Chaney, Beth H; Cremeens-Matthews, Jennifer; Vail-Smith, Karen

    2016-09-01

    Breath alcohol concentration (BrAC) is a commonly used measure of alcohol intoxication. Because of the potential negative consequences of excessive alcohol consumption, it is important to examine how accurately intoxicated individuals can estimate their BrAC values, especially individuals over the legal BrAC driving threshold (i.e., 0.08%). To better understand perceptions of BrAC values among intoxicated individuals, this field study examined actual BrAC values and BrAC range estimates (0.08% and above, 0.02-0.07%, less than 0.02%) among a sample of bar patrons (N = 454) with BrAC levels at 0.08% or higher. Bivariate and multivariate analyses were conducted to examine the relationship between actual BrAC values and perceived BrAC levels. We also examined whether the following demographic and drinking variables were associated with underestimating BrAC in this sample: gender, age, race, college student status, plans to get home, and hazardous drinking. Results indicated that the majority (60.4%) of participants underestimated their BrAC (i.e., less than 0.08%) and lower BrAC values correlated with underestimating BrAC ranges (p young (less than 21) intoxicated females are a group at high risk for sexual assault on college campuses. (PsycINFO Database Record PMID:27631614

  1. 75 FR 68728 - Airworthiness Directives; Bombardier, Inc. Model CL-215-1A10 (CL-215), CL-215-6B11 (CL-215T...

    Science.gov (United States)

    2010-11-09

    ... Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic impact, positive or.... Model CL-215-1A10 (CL- 215), CL-215-6B11 (CL-215T Variant), and CL-215-6B11 (CL-415 Variant) Airplanes...: * * * * * Seven cases of on-ground hydraulic accumulator screw cap or end cap failure have been experienced on...

  2. 76 FR 41653 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2A12 (CL-601) and CL-600-2B16 (CL-601-3A...

    Science.gov (United States)

    2011-07-15

    ... products. That NPRM was published in the Federal Register on January 5, 2011 (76 FR 477). That NPRM...; 2. Is not a ``significant rule'' under the DOT Regulatory Policies and Procedures (44 FR 11034.... Model CL-600-2A12 (CL- 601) and CL-600-2B16 (CL-601-3A, CL-601-3R, and CL-604 Variants) Airplanes...

  3. ClEST cluster :Cl_contig0243 [ClEST

    Lifescience Database Archive (English)

    Full Text Available Cl_contig0243 barrier-to-autointegration factor Cimex lectularius nuclear gene 428 ...TAATAAATACAGTATGATGTGCG fb29038 fs25084 mb23031 3 barrier to autointegration factor [Rhodnius prolixus] AEL79235 5.9E-56 GO:0003677 ...

  4. ClEST cluster :Cl_singleton0416 [ClEST

    Lifescience Database Archive (English)

    Full Text Available Cl_singleton0416 ornithine aminotransferase Cimex lectularius nuclear gene 438 TATC...CAGTTTGCCGAGTATATCACCCGTTATTT fb20049 1 PREDICTED: probable ornithine aminotransferase-like [Glycine max] XP_003531161 4.30167E-26 GO:0008483 ...

  5. ClEST cluster :Cl_singleton2093 [ClEST

    Lifescience Database Archive (English)

    Full Text Available Cl_singleton2093 selenoprotein t Cimex lectularius nuclear gene 435 GAGAAGGAGATTCCG...GAGACGGGAAGAATA mb12059 1 selenoprotein T [Glossina morsitans morsitans] ADD19835 7.29481E-59 GO:0045454 GO:0008430 GO:0005575 ...

  6. ClEST cluster :Cl_contig0231 [ClEST

    Lifescience Database Archive (English)

    Full Text Available Cl_contig0231 bcl2 adenovirus e1b 19 kda protein-interacting Cimex lectularius nucl...AGCCGTCCGGACCAATTTCCACCAAAGGATTGGAAACTGAGGCATCCGGCTCGGAAAACTCTCTCAATACGCACGAC fs06082 fw15056 mb10031 3 BCL2/adenovirus

  7. The (p, ρ, T) properties and apparent molar volumes Vφ of (ZnBr2 + C2H5OH)

    International Nuclear Information System (INIS)

    The (p, ρ, T) properties and apparent molar volumes Vφ of ZnBr2 in ethanol at temperatures (293.15 to 393.15) K and pressures up to p = 40 MPa are reported. The measurements were made with a recently developed vibration-tube densimeter. The system was calibrated using double-distilled water, methanol, ethanol, and aqueous NaCl solutions. The experiments were carried out at molalities of m = (0.05681, 0.16958, 0.30426, 0.43835, 0.93055, 1.49016, and 1.88723) mol . kg-1 using zinc bromide. An empirical correlation for the density of (ZnBr2 + C2H5OH) with pressure, temperature, and molality has been derived. This equation of state was used to calculate other volumetric properties such as isothermal compressibility, isobaric thermal expansibility, the differences in specific heat capacities at constant pressures and volumes, apparent molar volumes of ZnBr2 in ethanol, and partial molar volumes of both components.

  8. Theoretical study on dihydrogen bond of GeH4 with HX(X=F,Cl,Br)%GeH4与HX(X=F,Cl,Br)间二氢键复合物的理论研究

    Institute of Scientific and Technical Information of China (English)

    刘红; 陈燕芹

    2011-01-01

    The intramolecular complexes of GeH4 with hydrohalides were examined using ab initio calculations performed at the second-order M'f'ller-Plesset perturbation approximation with the 6-311 ++ G(3d,3p) basis set.Dihy-drogen-bonds were formed in the complexes of GeH4 with hydrohalides judged from the geometrical criteria. The characteristics of the bond critical points-the electron densities and their laplacians-also confirm this conclusion. The calculated binding energies of the complexes using MP2/6-311 ++ G(3d,3p) methods,corrected by basis-set superposition error are 3.28 to 4.502 kJ·mol-1 .The analysis of natural bond orbital shows that the electrostatic interaction plays a role in the formation of dihydrogen-bonds. For H(5)-X bond, the red shift caused by intremolecular hyperconjugatien and electrostatic attraction is greater than blue shift caused by repolarization and rehybridization, resulting in red shift of H(5)-X bond. For Ge-H bond, negative repolarization and negative rehybridization are consistent with the electrostatic attraction,resulting in Ge-H(4) bond stretching and vibration frequency red shift.%对GeH4与HX形成的二氢键复合物的结构特征及本质进行了探讨.在MP2/6-311 ++G(3 d,3p)水平优化、频率验证得到复合物的分子结构,通过分子的几何参数及电子密度拓扑分析,确认GeH4与卤化氢已形成了二氢键复合物.MP2/6-311 ++ G(3d,3p)水平下进行BSSE校正后的结合能为3.281到4.502 kJ?mol-1.自然键轨道分析表明,静电作用在二氢键中起一定作用.对H(5)-X键,分子间超共扼作用与静电吸引作用产生的红移效应超过重极化和重杂化产生的蓝移效应导致H(5)-X键红移;对Ge-H键,负重极化及负重杂化与H(4)(Ge)和H(5)(X)的静电吸引作用一致,导致Ge-H(4)键拉长与振动频率红移.

  9. Atmospheric test of the J(BrONO2)/kBrO+NO2 ratio: implications for total stratospheric Bry and bromine-mediated ozone loss

    Science.gov (United States)

    Kreycy, S.; Camy-Peyret, C.; Chipperfield, M. P.; Dorf, M.; Feng, W.; Hossaini, R.; Kritten, L.; Werner, B.; Pfeilsticker, K.

    2013-07-01

    We report on time-dependent O3, NO2 and BrO profiles measured by limb observations of scattered skylight in the stratosphere over Kiruna (67.9° N, 22.1° E) on 7 and 8 September 2009 during the autumn circulation turn-over. The observations are complemented by simultaneous direct solar occultation measurements around sunset and sunrise performed aboard the same stratospheric balloon payload. Supporting radiative transfer and photochemical modelling indicate that the measurements can be used to constrain the ratio J(BrONO2)/kBrO+NO2, for which at T = 220 ± 5 K an overall 1.7 (+0.4 -0.2) larger ratio is found than recommended by the most recent Jet Propulsion Laboratory (JPL) compilation (Sander et al., 2011). Sensitivity studies reveal the major reasons are likely to be (1) a larger BrONO2 absorption cross-section σBrONO2, primarily for wavelengths larger than 300 nm, and (2) a smaller kBrO+NO2 at 220 K than given by Sander et al. (2011). Other factors, e.g. the actinic flux and quantum yield for the dissociation of BrONO2, can be ruled out. The observations also have consequences for total inorganic stratospheric bromine (Bry) estimated from stratospheric BrO measurements at high NOx loadings, since the ratio J(BrONO2)/kBrO+NO2 largely determines the stratospheric BrO/Bry ratio during daylight. Using the revised J(BrONO2)/kBrO+NO2 ratio, total stratospheric Bry is likely to be 1.4 ppt smaller than previously estimated from BrO profile measurements at high NOx loadings. This would bring estimates of Bry inferred from organic source gas measurements (e.g. CH3Br, the halons, CH2Br2, CHBr3, etc.) into closer agreement with estimates based on BrO observations (inorganic method). The consequences for stratospheric ozone due to the revised J(BrONO2)/kBrO+NO2 ratio are small (maximum -0.8%), since at high NOx (for which most Bry assessments are made) the enhanced ozone loss by overestimating Bry is compensated for by the suppressed ozone loss due to the underestimation

  10. Lifetime measurement of 75Br with inverse kinematic reaction

    International Nuclear Information System (INIS)

    75Br is an isotone of 74Se and 76Kr. Both of them are known for showing shape coexistence with different shape in ground state. It is a question whether odd particle, in this case a proton in 75Br, stabilizes one of the shape or feel the shape co-existence of the core. Transitional probabilities and magnetic moment of the states will help in answering these questions. Thus it motivates us to re-measure the lifetime of excited states of ground state band of 75Br using inverse reaction and to provide necessary information about the feeding time of these states which can then be used in magnetic moment measurement

  11. Redetermination of the Crystal Structure of Al2Br6

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Poulsen, Finn W.; Nielsen, Kurt

    1997-01-01

    The structure of aluminium bromide has been reinvestigated by X-ray diffraction in three different ways: (a) on a single crystal grown in a glass capillary, (b) on powder in a Debye-Scherrer glass capillary and (c) on an area of powder placed in a protective container for Bragg-Brentano geometry...... structural results were obtained from full-profile Rietveld refinements of powder data [goodness of fit = 1.38 and 2.54 for (b) and (c), respectively]. The Al2Br6 molecule consists of two edge-sharing, almost regular AlBr4 tetrahedra. The Al-Br bond distances are in the range 2.21-2.42 Angstrom...

  12. Thermal neutron imaging with CsBr storage phosphors

    International Nuclear Information System (INIS)

    The storage phosphor material CsBr:Eu2+ has been investigated for use in thermal neutron imaging. CsBr:Eu2+ imaging plates were prepared in a polycrystalline form by cold pressing starting powders. These as-prepared materials show only small photostimulated luminescence intensity under thermal neutron irradiation, but the luminescence intensity can be increased by incorporating separate neutron converters, in the form of lithium, boron or gadolinium containing compounds. An imaging plate containing 5% 10B2O3 as a neutron converter has 50% the photostimulated luminescence intensity of a commercial Fuji neutron imaging plate. Thermal neutron imaging was shown to be possible with the CsBr:Eu2+-based imaging plates, and the differences in thermal neutron and X-ray images were clearly observed

  13. Pressure-induced structural changes in NH4Br.

    Science.gov (United States)

    Huang, Yanping; Huang, Xiaoli; Li, Wenbo; Wang, Lu; Wu, Gang; Zhao, Zhonglong; Duan, Defang; Bao, Kuo; Zhou, Qiang; Liu, Bingbing; Cui, Tian

    2015-08-14

    We report angle dispersive X-ray diffraction (XRD) measurements and Raman spectroscopy on NH4Br up to 70.0 GPa at room temperature. Three thermodynamically stable phases (phases II, IV, and V) are confirmed and a new possible phase (phase VI) of P21/m symmetry is proposed whose structure was established from Rietveld refinement of synchrotron XRD data for the first time. The phase sequence observed in NH4Br is in accordance with phase II → IV → V → VI. Phase V transforms into phase VI at about 57.8 GPa with a huge volume reduction of 30%. Still, the intramolecular distances are analyzed to better understand the nature of structures. The H-H interactions become markedly more important as the N-Br distances are compacted, which is probably the reason of the kink of symmetric stretching band (ν1) at the transition pressure. PMID:26277143

  14. Henkilöbrändäyksen mahdollisuudet kauneudenhoitoalalla

    OpenAIRE

    Gallotti, Mirva

    2015-01-01

    Henkilöbrändäys on vielä suhteellisen uusi termi ja ilmiö Suomessa. Kuitenkin parin viime vuoden aikana aihe on ollut entistä useammin esillä mediassa. Kiristynyt tilanne työmarkkinoilla on pakottanut ihmisiä löytämään tapoja, joilla voi erottautua massasta ja luoda positiivista kuvaa itsestä. Henkilöbrändäystä voidaan kutsua oman osaamisen ja asiantuntijuuden profiloinniksi. Tämän opinnäytetyön tarkoitus oli tutkia olisiko henkilöbrändäyksestä apua työllistymiseen ja uralla etenemiseen myös ...

  15. Raman spectra of ZnBr2-based glasses

    International Nuclear Information System (INIS)

    Raman spectra of ZnBr2-KBr and ZnBr2-KBr-CaBr2 glasses contain strong bands at 60 cm-1 and 155 or 174 cm-1 and some weak bands between 200-300 cm-1. From the compositional dependence of the spectra and comparison with vibrational modes of molten mixtures and crystals, the 155 and 174 cm-1 bands are assigned to symmetric stretching modes of tetrahedra consisting of four bridging and four non-bridging bromines, respectively. It is revealed that tetrahedra of bridging bromines exist in the glasses even at the composition of so large amount of bromine that the theoretical number of non-bridging bromine per zinc is beyond 4. (author) 6 refs., 4 figs

  16. New insight into halogen release from experimental studies on BrO/Br ratios in volcanic plumes

    Science.gov (United States)

    Bobrowski, Nicole; Wittmer, Julian; Liotta, Marcello; Calabrese, Sergio; Giuffrida, Giovanni; Brusca, Lorenzo; Platt, Ulrich

    2014-05-01

    Since the discovery of BrO in a volcanic plume (Bobrowski et al. 2003) many measurements have been performed as well as modelling to understand the radical chemistry in volcanic plumes, in particular, the interaction between volcanic gas species, released under strongly reduced conditions, and the oxidizing atmosphere. Besides the goal in atmospheric chemistry to better determine the impact of volcanic emission (e.g. reactive bromine) on the local (and maybe global) scale, volcanologists also have an interest to understand if the BrO/SO2 ratios can be used as a monitoring parameter giving further insides in dynamic processes of volcanoes. However, one of the arguments which potentially makes volcanological interpretations difficult is the reactivity of BrO. Therefore it is, of great importance to link the measurements of BrO and gaseous hydrogen bromide to the total emission flux of bromine in order to estimate the pristine gas composition released from magmas. In particular, trace gas composition of the surrounding atmosphere, the volcanic gas composition and meteorological parameters can all potentially effect the formation of BrO and might have to be considered. Some of these factors potentially also influence near source (crater rim) in-situ measurement. We need to answer the question: Can we correlate BrO measurements to the total bromine outgassing? Only with this knowledge we can relate changes of the measured gas ratios (BrO/SO2) to the volcanic fluids emitted by the underlying magma and can interpret data as signals from depth, which provide insight on the degassing of magmatic bodies inside the Earth. Some studies indicate that the BrO/SO2 ratio is close to a temporarily equilibrium already after only few minutes of the gas emission from the vent (e.g. Bobrowski and Giuffrida, 2012). This equilibrium seems to be relatively independent from meteorological parameters except for extreme conditions. We here present an empirical approach to answer the above

  17. Density functional theoretical (DFT) study for the prediction of spectroscopic parameters of ClCCCN

    CERN Document Server

    Varadwaj, P R

    2005-01-01

    DFT and RHF level calculations in conjunction with three different of basis sets have been used to investigate the variations in the bond lengths, dipole moment and rotational constants, IR frequencies, IR intensities and rotational invariants of ClCCCN. The nuclear quadrupole constants of chlorine and nitrogen of ClCCCN have been calculated on the experimental r$_{s}$ structure as well as on the B3PW91/6-311++g(d,p) optimized geometry and are found to be within the scale length of the experimental uncertainty. Linear regression analysis between the B3LYP/6-311++g(d,p) level calculated and experimental B$_{o}$ values have been achieved for ClCCCN and BrCCCN. The slopes and intercepts obtained from the regression analysis were used to calculate the reasonable values of rotational constants of all the rare isotopic species of ClCCCN and BrCCCN as well having standard deviations $\\pm$0.048 MHz and $\\pm$0.015 MHz respectively. All the spectroscopic parameters obtained from DFT calculation shows satisfactory agree...

  18. Influencia de la temperatura del clínker sobre su molturabilidad

    Directory of Open Access Journals (Sweden)

    Pospisil, Z.

    1979-09-01

    Full Text Available Not avaible<br>>El objeto del trabajo experimental que Z. Pospisil describe es demostrar que la disminución del rendimiento en la molienda del clínker no se debe tanto en la influencia de la temperatura, como a la carga electrostática que se engendra durante la pulverización del clínker. La necesidad de estudiar la cuestión se debe a que, generalmente, se muele clínker poco enfriado por ser muy limitadas las posibilidades de enfriarle en los silos. La molturación del clínker de cemento portland requiere un considerable consumo de energía. Para una producción anual, mundial, de 500 millones de toneladas, con un consumo específico de 35 kW/t, el consumo de energía es cercano a 18.000 millones de kW/h que corresponde al 0,5 % de la total producción mundial de electricidad.

  19. Balloon-borne stratospheric BrO measurements: comparison with Envisat/SCIAMACHY BrO limb profiles

    Directory of Open Access Journals (Sweden)

    M. Dorf

    2006-01-01

    Full Text Available For the first time, results of four stratospheric BrO profiling instruments, are presented and compared with reference to the SLIMCAT 3-dimensional chemical transport model (3-D CTM. Model calculations are used to infer a BrO profile validation set, measured by 3 different balloon sensors, for the new Envisat/SCIAMACHY (ENVIronment SATellite/SCanning Imaging Absorption spectroMeter for Atmospheric CHartographY satellite instrument. The balloon observations include (a balloon-borne in situ resonance fluorescence detection of BrO (Triple, (b balloon-borne solar occultation DOAS measurements (Differential Optical Absorption Spectroscopy of BrO in the UV, and (c BrO profiling from the solar occultation SAOZ (Systeme d'Analyse par Observation Zenithale balloon instrument. Since stratospheric BrO is subject to considerable diurnal variation and none of the measurements are performed close enough in time and space for a direct comparison, all balloon observations are considered with reference to outputs from the 3-D CTM. The referencing is performed by forward and backward air mass trajectory calculations to match the balloon with the satellite observations. The diurnal variation of BrO is considered by 1-D photochemical model calculation along the trajectories. The 1-D photochemical model is initialised with output data of the 3-D model with additional constraints on the vertical transport, the total amount and photochemistry of stratospheric bromine as given by the various balloon observations. Total [Bry]=(20.1±2.5 pptv obtained from DOAS BrO observations at mid-latitudes in 2003, serves as an upper limit of the comparison. Most of the balloon observations agree with the photochemical model predictions within their given error estimates. First retrieval exercises of BrO limb profiling from the SCIAMACHY satellite instrument on average agree to around 20% with the photochemically-corrected balloon observations of the remote sensing instruments (SAOZ

  20. Template synthesis of braided gold nanowires with gemini surfactant-HAuCl{sub 4} aggregates

    Energy Technology Data Exchange (ETDEWEB)

    Wang Wentao; Han Yuchun; Gao Mingyuan, E-mail: gaomy@iccas.ac.cn; Wang Yilin, E-mail: yilinwang@iccas.ac.cn [Beijing National Laboratory for Molecular Sciences (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Key Laboratory of Colloid and Interface Science (China)

    2013-01-15

    One-dimensional braided gold nanowires with 40-50 nm in width and several micrometers in length which were fabricated by using cationic gemini surfactant hexamethylene-1,6-bis (dodecyl dimethylammonium bromide) (C{sub 12}C{sub 6}C{sub 12}Br{sub 2}). Through simply regulating the mole ratio of C{sub 12}C{sub 6}C{sub 12}Br{sub 2} to HAuCl{sub 4}, the morphology of the gold products changed into nanoparticles and nanowires. The CryoTEM images indicated that the C{sub 12}C{sub 6}C{sub 12}Br{sub 2}/HAuCl{sub 4} mixture formed spherical or fibrillar aggregates depending on the mole ratio of C{sub 12}C{sub 6}C{sub 12}Br{sub 2} to HAuCl{sub 4}, which performed as the versatile templates for morphology-controlled synthesis of the multiple gold nanomaterials. The HRTEM and SAED results suggested the nanowires and braided nanowires were polycrystalline. The gold nanostructure displayed a time-dependent growth process, i.e., first the nanoparticles arranged in one dimension, and then assembled into nanowires. Therefore, a template-directed aggregation and fusion process of nanoparticles is proposed for the formation of the one-dimensional gold nanomaterials. The braided nanowires exhibited a higher catalytic activity in the reduction of p-nitroaniline than that of the nanowires. This gemini surfactant-based template provides a versatile strategy for the morphology-controlled synthesis of gold nanomaterials, and may be applied for the synthesis of other noble-metal nanomaterials.

  1. Discovery of Oil Field Water with High Content of Br-, I-, Li +, K + as the Indication of Finding Potash in Jingbian Gas Field%靖边气田富Br-、I-、Li+、K+油田水的发现及对找钾的启示

    Institute of Scientific and Technical Information of China (English)

    樊馥; 郑绵平; 张永生; 包洪平; 张震; 龚文强

    2012-01-01

    Major element and trace element of Ordovician and Carbonic - Permian oil field water are analyzed in the Jingbian gas field. The results indicate that the water samples are enriched in Br- ,1- ,Li+ ,K+. The contents of Br- ,1- ,Li+ from the Ordovician oil field water and Br- and K+ from the Carbonic -Permian oil field water reach the standards of industrial exploitation or combined exploitation. The high content of Br- and the hydrochemical characteristics indicate that the oil field water in Jingbian gas field is marine sedimentary brine, and the preservation environment is closed, showing the feature of high reducibility. At the same time, the high values of (Br- /Cl- ) × 103 and ( K + /Cl- ) × 103 indicate the oil field water derives from highly concentrated sea water, and getting the stage of potash depositing, thus, it is probable that solid potash also exists in the west of the Shanbei salt basin, not only in the east.%对靖边气田奥陶系和石炭—二叠系产出的油田水进行常、微量元素分析,分析结果表明:样品富集Br-、I-、Li+、K+,奥陶系的Br-、I-、Li+以及石炭—二叠系的Br-和K+都已经达到工业开采或综合开采标准.其高Br-含量特征以及相关水化学参数特点反映靖边气田油田水主要为海相沉积型卤水,且保存环境较封闭,具有很好的原生性;同时,高的溴氯系数及钾氯系数说明奥陶系海水高度浓缩,并已经达到钾盐沉积阶段,反映靖边气田所在的陕北盐盆西部可能有固体钾盐沉积存在.而石炭—二叠系油田水除对原始沉积卤水的保存外,可能受到富钾围岩的影响.

  2. Brändistrategian merkitys yrityksen digitaalisessa markkinoinnissa

    OpenAIRE

    Niskala, Harri

    2011-01-01

    Tämä tutkielma on kirjoitettu siksi, että olen aikaisemmin työskennellyt digitaalista markkinointia myyvän yrityksen palveluksessa. Kyseinen työnantaja, Advertising Media Finland Oy, on ollut tämän tutkielman toimeksiantaja. Työn tavoitteena oli selvittää, kuinka suuri merkitys brändistrategialla on suomalaisissa yrityksissä. Lisäksi pyrittiin selvittämään, mikä on suomalaisten yritysten brändi-identiteetin ja imagon merkitys digitaalisessa markkinoinissa. Näiden kahden asian lisäksi selvitet...

  3. Intramolecular and dissociation dynamics of the CF2Br radical

    Science.gov (United States)

    Bintz, Karen L.; Thompson, Donald L.; Gosnell, T. R.; Hay, P. Jeffrey

    1992-11-01

    Classical trajectory methods were used to investigate the nature of the intramolecular dynamics (quasiperiodic vs chaotic) of the CF2Br radical. The potential energy surface is based on empirical and ab initio results. Power spectra show that the Br-C-F bend exhibits quasiperiodic dynamics while the other modes are chaotic. Despite the presence of quasiperiodic dynamics, the dissociation rates for mode-specific excitations of the normal modes are essentially the same as those for equipartitioning of the excitation energy among all the normal modes.

  4. Clínica privada en Roma – Italia

    Directory of Open Access Journals (Sweden)

    Lafuente, Julio

    1979-04-01

    Full Text Available The Pio XI clinic—featuring contrasting volumes and fine light-and-shadow effects — contains in five stories radiology, surgery and maternity facilities, as well as nurses' living quarters and other services required for its 150 patient bed capacity. The unique architectural layout of the building is a direct result of both a spatial solution aiming at minimising walking distances from the various services to the patient rooms, and of an attempt to provide the different hospital facilities with the best possible insulation from external noise, as well as with natural lighting.<br>>La clínica Pío XI —caracterizada por los variados volúmenes que causan los marcados contrastes de luces y sombras— encierra, en sus cinco alturas, las instalaciones de radiología, cirugía y maternidad, así como las habitaciones de las enfermeras y los servicios correspondientes a sus 150 camas de capacidad. La original configuración arquitectónica del edificio es consecuencia directa tanto de una adecuada organización que busca minimizar los recorridos desde los distintos servicios a las habitaciones de los pacientes como de conferir a éstas y a las distintas instalaciones hospitalarias las mejores condiciones de aislamiento al ruido exterior y de iluminación natural.

  5. Rietveld refinement of Ba5(AsO43Cl from high-resolution synchrotron data

    Directory of Open Access Journals (Sweden)

    Wendy J. Harrison

    2008-09-01

    Full Text Available The apatite-type compound Ba5(AsO43Cl, pentabarium tris[arsenate(V] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb5(AsO43Cl with BaCO3 as a by-product. The results of the Rietveld refinement, based on high resolution synchrotron X-ray powder diffraction data, show that the title compound crystallizes in the same structure as other halogenoapatites with general formula A5(YO43X (A = divalent cation, Y = pentavalent cation, X = Cl, Br in space group P63/m. The structure consists of isolated tetrahedral AsO43− anions (m symmetry, separated by two crystallographically independent Ba2+ cations that are located on mirror planes and threefold rotation axes, respectively. The Cl− anions are at the 2b sites (overline{3} symmetry and are located in the channels of the structure.

  6. Relative reactivities of halogen-substituted substrates (R-Br, R-Cl) toward the halophilic attack by a carbanion

    Institute of Scientific and Technical Information of China (English)

    FU; Weimin

    2001-01-01

    Chitosans with various degrees of deacetylation (D.D.), which were used as standard sample for FTIR determination, were prepared from completely deacetylated chitosan by homogeneous N-acetylation reaction. By combining four probable probe bands, i.e. 1655, 1560, 1380 and 1320 cm-1, eight probable reference bands, i.e. 3430, 2920, 2880, 1425, 1155, 1070, 1030 and 895 cm-1 and two baseline methods, the most suitable ratios Aprobe band/Areference band from IR spectra to determine the degree of acetylation of chitosan were evaluated from 48 combinations to be A1560/A2880, A1560/A2920 and A1655/A3430(A1560/A2880 is mostly recommended). The second baseline method, i.e. linking between adjacent two valleys, was better for measuring the absorbances of 1560 and 1655 cm-1 bands. The determination range of the D.D. (1%-100%) covered almost the whole range. The standard curves with A1560/A2880 and A1655/A3430 were also suitable for the determination of degree of substitution of other N-acylated chitosan, such as N-propionyl chitosan, N-butyryl chitosan and N-hexanoyl chitosan.

  7. Aagesta-BR3 Decommissioning Cost. Comparison and Benchmarking Analysis

    International Nuclear Information System (INIS)

    This report presents the results of decommissioning cost analyses focusing on discrete working packages within the decommissioning program of the BR3 reactor in Mol, Belgium and comparison of them with cost estimate data for the Aagesta research reactor in Sweden. The specific BR3 work packages analysed were: Primary coolant piping decontamination; Primary coolant piping dismantling; Vulcain reactor internals dismantling; Westinghouse reactor internals dismantling; Reactor vessel dismantling. The main conclusions to be drawn from the analyses are that: The fixed costs related to decontamination and dismantling activities generally are a very important part of the overall resources needed to execute the work, with the Reactor Pressure Vessel (RPV) seemingly being significantly more demanding than other major components. Cutting activities tend to need something like 150 to 200 labour hours per m2 of reactor equipment dismantled. Fixed investment costs to set up the equipment needed to cut up major vessels or internals appear to be in the range of MSEK 4 to 8. Consumables costs vary according to the nature of the equipment being dismantled. The thicker the metal being cut, the higher the attrition rate for things such as cutting blades. The range of consumables costs at BR3 have been in the range of MSEK 0.1 to 0.2/m2 dismantled. The extent of detailed information available in the 1996 Aagesta estimate is not sufficient to enable a full comparison with the BR3 decommissioning results. A global first comparison has been attempted by summing the resources expended on the BR3 work packages described in this report with the combined dismantling data presented in the 1996 Aagesta cost estimate report. Very broadly the cost of decontamination plus dismantling of the main process equipment at Aagesta appears to be in the order of MSEK 70, of which MSEK 4 is labour on preparatory/planning work, MSEK 40 is labour on actual decontamination and dismantling and MSEK 25 is

  8. Large BR(h -> tau mu) in Supersymmetric Models

    CERN Document Server

    Hammad, Ahmed; Un, Cem Salih

    2016-01-01

    We analyze the Lepton Flavor Violating (LFV) Higgs decay h -> tau mu in three supersymmetric models: Minimal Supersymmetric Standard Model (MSSM), Supersymmetric Seesaw Model (SSM), and Supersymmetric B-L model with Inverse Seesaw (BLSSM-IS). We show that in generic MSSM, with non-universal slepton masses and/or trilinear couplings, it is not possible to enhance BR(h -> tau mu) without violating the experimental bound on the BR(tau -> mu gamma). In SSM, where flavor mixing is radiatively generated, the LFV process mu -> e gamma strictly constrains the parameter space and the maximum value of BR(h -> tau mu) is of order 10^-10, which is extremely smaller than the recent results reported by the CMS and ATLAS experiments. In BLSSM-IS, with universal soft SUSY breaking terms at the grand unified scale, we emphasize that the measured values of BR(h -> tau mu) can be accommodated in a wide region of parameter space without violating LFV constraints. Thus, confirming the LFV Higgs decay results will be a clear signa...

  9. Infections fongiques des brûlé : revue

    Science.gov (United States)

    Arnould, JF.; Le Floch, R.

    2015-01-01

    Summary Les infections fongiques locales ou générales sont souvent d’une extrême gravité chez les brûlés. Les brûlés combinent de nombreux facteurs de risque à une immunodépression induite par la brûlure. Les infections de plaies sont le fait des genres Candida, Aspergillus et des agents de mucormycoses. Ces deux derniers cas sont à l’origine de lésions particulièrement sévères. Leur diagnostic repose sur la biopsie cutanée avec examens mycologique et anatomopathologique. Le traitement est essentiellement chirurgical, associé à une antibiothérapie adaptée. Les septicémies sont le fait de levures, essentiellement du genre Candida. Le diagnostic en est difficile dans le contexte des brûlés et repose souvent sur une forte suspicion clinique. Leur traitement repose sur les échinocandines et plus secondairement sur le fluconazole. PMID:26668558

  10. Bellahøj. Ballerup. Brøndby Strand

    DEFF Research Database (Denmark)

    Bertelsen, S.

    det der skete? Hvem tog initiativet? Hvorfor lykkedes det med så stor succes, som det faktisk gjorde? Hvilke tanker, idealer og indgreb var udgangspunkt for den store indsats? På grundlag af disse spørgsmål har Sven Bertelsen i "Bellahøj - Ballerup - Brøndby Strand" skildret en væsentlig epoke i dansk...

  11. Narva kant vajab oma brändi / Esko Passila

    Index Scriptorium Estoniae

    Passila, Esko

    2007-01-01

    Autor leiab, et Ida-Virumaa peaks looma ühtse tugeva brändi, mille alusel tulevikuotsuseid teha. See peaks tooma välja soodsa asukoha eelised, võimalused, tööjõu kättesaadavuse, kasutusvalmid maa-alad, hinnad jne.

  12. Synthesis, Crystal Structure and Luminescent Properties of TbCu(TeO3)2Cl

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    TbCu(TeO3)2Cl was obtained in high yield from high temperature solid-state reacion of Tb4O7, CuO, CuCl2 and TeO2 in a 1:2:2:8 molar ratio at 710 ℃ in an evacuated quartz tube. Its structure was established by single-crystal X-ray diffraction. The title compound crystallizes in monoclinic, space group P21/c, with a=5.409(2), b=14.994(6), c=9.183(4)(A) ,β=98.884(5)°, V=735.8(5)(A)3 and Z=4. TbCu(TeO3)2Cl is isostructural with LnCu(TeO3)2X (Ln=Dy, X=Cl; Ln=Er, X=Cl, Br). Its structure features a three-dimensional (3D) network built from Tb(Ⅲ) and Cu(Ⅱ) ions interconnected by tellurite and chloride anions; the chloride anion and the lone-pair electrons of the tellurium(Ⅳ) ions are oriented toward the cavities of the tunnels in the network. Solid-state luminescent spectrum of TbCu(TeO3)2Cl shows a strong emission band at 545 nm with a luminescent life time of 291μs.

  13. Pressure and temperature dependence kinetics study of the NO + BrO yielding NO2 + Br reaction - Implications for stratospheric bromine photochemistry

    Science.gov (United States)

    Watson, R. T.; Sander, S. P.; Yung, Y. L.

    1979-01-01

    The reactivity of NO with BrO radicals over a wide range of pressure (100-700 torr) and temperature (224-398 K) is investigated using the flash photolysis-ultraviolet absorption technique. The flash photolysis system consists of a high-pressure xenon arc light source, a reaction cell/gas filter/flash lamp combination, and a 216.5 half-meter monochromator/polychromator/spectrography for wavelength selectivity. The details of the reaction and its corresponding Arrhenius expression are identified. The results are compared with previous measurements, and atmospheric implications of the reaction are discussed. The NO + BrO yielding NO2 + Br reaction is shown to be important in controlling the concentration ratios of BrO/Br and BrO/HBr in the stratosphere, but this reaction does not affect the catalytic efficiency of BrOx in ozone destruction.

  14. Atmospheric test of the J(BrONO2/kBrO+NO2 ratio: implications for total stratospheric Bry and bromine-mediated ozone loss

    Directory of Open Access Journals (Sweden)

    B. Werner

    2012-10-01

    Full Text Available We report on time-dependent O3, NO2 and BrO profile measurements taken in the stratosphere by limb observations of scattered skylight at high-latitudes during autumn circulation turn-over. The observations are complemented by simultaneous direct solar occultation measurements around sunset and sunrise performed aboard the same stratospheric balloon payload. Supporting radiative transfer and photochemical modelling indicates that, the measurements can be used to constrain the ratio J(BrONO2/kBrO+NO2, for which overall a 1.69 ± 0.04 larger ratio is found than indicated by the most recent JPL compilation (Sander et al., 2011. Sensitivity studies reveal the major reasons likely to be (1 a larger BrONO2 absorption cross-section σBrONO2, primarily for wavelengths larger than 300 nm, and (2 a smaller kBrO+NO2 at 220 K than given by Sander et al. (2011. Other factors, e.g. the actinic flux and quantum yield for the dissociation of BrONO2, can be ruled out. The observations also have consequences for total inorganic stratospheric bromine (Bry estimated from stratospheric BrO measurements at high NOx loadings, since the J(BrONO2/kBrO+NO2 ratio largely determines the stratospheric BrO/Bry ratio during daylight. Using the revised J(BrONO2/kBrO+NO2 ratio, total stratospheric Bry is likely to be 1.4 ppt smaller than previously estimated from BrO profile measurements at high NOx loadings. This brings estimates of total stratospheric bromine inferred from organic source gas measurements (i.e. CH3Br, the halons, CH2Br2, CHBr3, ... into closer agreement with estimates based on BrO observations (inorganic method. The consequences for stratospheric ozone due to the revised J(BrONO2/kBrO+NO2 ratio are small (maximum −0.8%, since at high NOx (for which most Bry assessments are made an overestimated Bry using the inorganic method would in return almost cancel out with the amount of reactive bromine calculated in the photochemical models.

  15. Brûlure chez l’épileptique: brûlure pas comme les autres

    Science.gov (United States)

    Boukind, S.; Elatiqi, O.K.; Dlimi, M.; Elamrani, D.; Benchamkha, Y.; Ettalbi, S.

    2015-01-01

    Summary L’association brûlure et épilepsie est une constatation fréquente au Maroc. Ces brûlures, souvent itératives, touchent le plus souvent des femmes jeunes de milieu rural. L’accident survient habituellement au domicile, le plus souvent dans la cuisine à la suite d’une chute sur un moyen de cuisson posé au sol. Elles peuvent être inaugurales de la maladie mais surviennent plus souvent chez des patients connus mais au traitement mal suivi. Les conséquences de ces brûlures, toujours profondes, sont souvent dramatiques en termes de séquelles, chez des patients ayant déjà une insertion sociale rendue difficile par l’épilepsie. La prise en charge doit être multidisciplinaire et concerner à la fois la brûlures et l’épilepsie. Des mesures de prévention simples, visant à équilibrer l’épilepsie et éviter au patient de se trouver seul à proximité d’une source de chaleur, doivent être mises en place. PMID:27252613

  16. ClEST cluster :Cl_singleton1538 [ClEST

    Lifescience Database Archive (English)

    Full Text Available Cl_singleton1538 dead (asp-glu-ala-asp) box polypeptide 5 Cimex lectularius nuclear...fw14079 1 similar to DEAD/H (Asp-Glu-Ala-Asp/His) box polypeptide 5 (RNA helicase 68kDa) [Xenopus laevis] NP_001079703 6.59566E-23 ...

  17. TMEM16F is a component of a Ca2+-activated Cl- channel but not a volume-sensitive outwardly rectifying Cl- channel.

    Science.gov (United States)

    Shimizu, Takahiro; Iehara, Takahiro; Sato, Kaori; Fujii, Takuto; Sakai, Hideki; Okada, Yasunobu

    2013-04-15

    TMEM16 (transmembrane protein 16) proteins, which possess eight putative transmembrane domains with intracellular NH2- and COOH-terminal tails, are thought to comprise a Cl(-) channel family. The function of TMEM16F, a member of the TMEM16 family, has been greatly controversial. In the present study, we performed whole cell patch-clamp recordings to investigate the function of human TMEM16F. In TMEM16F-transfected HEK293T cells but not TMEM16K- and mock-transfected cells, activation of membrane currents with strong outward rectification was found to be induced by application of a Ca(2+) ionophore, ionomycin, or by an increase in the intracellular free Ca(2+) concentration. The free Ca(2+) concentration for half-maximal activation of TMEM16F currents was 9.6 μM, which is distinctly higher than that for TMEM16A/B currents. The outwardly rectifying current-voltage relationship for TMEM16F currents was not changed by an increase in the intracellular Ca(2+) level, in contrast to TMEM16A/B currents. The Ca(2+)-activated TMEM16F currents were anion selective, because replacing Cl(-) with aspartate(-) in the bathing solution without changing cation concentrations caused a positive shift of the reversal potential. The anion selectivity sequence of the TMEM16F channel was I(-) > Br(-) > Cl(-) > F(-) > aspartate(-). Niflumic acid, a Ca(2+)-activated Cl(-) channel blocker, inhibited the TMEM16F-dependent Cl(-) currents. Neither overexpression nor knockdown of TMEM16F affected volume-sensitive outwardly rectifying Cl(-) channel (VSOR) currents activated by osmotic swelling or apoptotic stimulation. These results demonstrate that human TMEM16F is an essential component of a Ca(2+)-activated Cl(-) channel with a Ca(2+) sensitivity that is distinct from that of TMEM16A/B and that it is not related to VSOR activity. PMID:23426967

  18. Reactive halogens (BrO and OClO) detected in the plume of Soufrière Hills Volcano during an eruption hiatus

    Science.gov (United States)

    Donovan, Amy; Tsanev, Vitchko; Oppenheimer, Clive; Edmonds, Marie

    2014-08-01

    plumes are sites of dynamic chemistry involving halogen gases. Here we present new data on the relative abundances of SO2, BrO and OClO gases emitted from Soufrière Hills Volcano [SHV). They were collected during an eruptive hiatus but during sustained degassing at this halogen-rich volcano. By comparison with data from a previous study during an eruptive phase and application of the data and modeling of Villemant et al. (2008), we suggest that, after consideration of errors, either the rate of HBr conversion to BrO is variable, ranging from ˜30% to ˜15%, and/or the relative partitioning of Cl and Br into the gas phase from the melt changes according to eruptive activity. We examine the potential implications of this for fluid-melt partitioning, and compare our results with data from the experimental literature. Our work contributes toward understanding the controls on the BrO/SO2 ratio for volcano monitoring purposes; the changes in plume chemistry with regard to bromine at the onset of lava extrusion may be large and rapid. OClO was detected in the plume at SHV for the first time. This species has only previously been detected in emissions from Mount Etna (using ground-based methods) and from Puyehue Cordon Caulle (using satellite-based methods). No HCHO or NOy species were detected in the spectra.

  19. Material test reactor fuel research at the BR2 reactor

    International Nuclear Information System (INIS)

    The construction of new, high performance material test reactor or the conversion of such reactors' core from high enriched uranium (HEU) to low enriched uranium (LEU) based fuel requires several fuel qualification steps. For the conversion of high performance reactors, high density dispersion or monolithic fuel types are being developed. The Uranium-Molybdenum fuel system has been selected as reference system for the qualification of LEU fuels. For reactors with lower performance characteristics, or as medium enriched fuel for high performance reactors, uranium silicide dispersion fuel is applied. However, on the longer term, the U-Mo based fuel types may offer a more efficient fuel alternative and-or an easier back-end solution with respect to the silicide based fuels. At the BR2 reactor of the Belgian nuclear research center, SCK-CEN in Mol, several types of fuel testing opportunities are present to contribute to such qualification process. A generic validation test for a selected fuel system is the irradiation of flat plates with representative dimensions for a fuel element. By flexible positioning and core loading, bounding irradiation conditions for fuel elements can be performed in a standard device in the BR2. For fuel element designs with curved plates, the element fabrication method compatibility of the fuel type can be addressed by incorporating a set of prototype fuel plates in a mixed driver fuel element of the BR2 reactor. These generic types of tests are performed directly in the primary coolant flow conditions of the BR2 reactor. The experiment control and interpretation is supported by detailed neutronic and thermal-hydraulic modeling of the experiments. Finally, the BR2 reactor offers the flexibility for irradiation of full size prototype fuel elements, as 200mm diameter irradiation channels are available. These channels allow the accommodation of various types of prototype fuel elements, eventually using a dedicated cooling loop to provide the

  20. Identification of Yellow Pigmentation Genes in Brassica rapa ssp. pekinensis Using Br300 Microarray

    Directory of Open Access Journals (Sweden)

    Hee-Jeong Jung

    2014-01-01

    Full Text Available The yellow color of inner leaves in Chinese cabbage depends on its lutein and carotene content. To identify responsible genes for yellow pigmentation in leaves, the transcriptome profiles of white (Kenshin and yellow leaves (Wheessen were examined using the Br300K oligomeric chip in Chinese cabbage. In yellow leaves, genes involved in carotene synthesis (BrPSY, BrPDS, BrCRTISO, and BrLCYE, lutein, and zeaxanthin synthesis (BrCYP97A3 and BrHYDB were upregulated, while those associated with carotene degradation (BrNCED3, BrNCED4, and BrNCED6 were downregulated. These expression patterns might support that the content of both lutein and total carotenoid was much higher in the yellow leaves than that in the white leaves. These results indicate that the yellow leaves accumulate high levels of both lutein and β-carotene due to stimulation of synthesis and that the degradation rate is inhibited. A large number of responsible genes as novel genes were specifically expressed in yellow inner leaves, suggesting the possible involvement in pigment synthesis. Finally, we identified three transcription factors (BrA20/AN1-like, BrBIM1, and BrZFP8 that are specifically expressed and confirmed their relatedness in carotenoid synthesis from Arabidopsis plants.

  1. Descripción clinico-radiológica y patológica de las lesiones palpables de mama, Clínica León XIII, Seguro Social, Medellín, enero 2001-abril 2002

    Directory of Open Access Journals (Sweden)

    Gloria Marín

    2001-04-01

    Full Text Available

    El médico, frente a un paciente con enfermedad mamaria, debe realizar una historia clínica completa en donde se tengan en cuenta los factores de riesgo, los antecedentes personales y familiares de lesión mamaria (menarca precoz, y menopausia tardía, entre otros; el examen físico debe hacerse detenidamente, teniendo en cuenta la inspección, localización, signos y síntomas. No se puede restar importancia<br />al estudio de las lesiones de mama, ya que con él se puede<br />descartar y prevenir una posible lesión maligna.<br />Para el estudio se tendrá en cuenta la «tríada diagnóstica» de las<br />lesiones mamarias: clínica, mamografía o ecografía y biopsia en las<br />lesiones palpables. Se desea observar la relación que existe entre la<br />clínica y las ayudas diagnósticas para el establecimiento de una determinada enfermedad (1.

     

  2. Simultaneous balloon-borne measurements of the key inorganic bromine species BrO and BrONO2 in the stratosphere: DOAS and MIPAS-B evaluation

    Science.gov (United States)

    Kazarski, Sebastian; Maucher, Guido; Ebersoldt, Andreas; Butz, André; Friedl-Vallon, Felix; Höpfner, Michael; Kleinert, Anne; Nordmeyer, Hans; Oelhaf, Hermann; Pfeilsticker, Klaus; Sinnhuber, Björn-Martin; Wetzel, Gerald; Orphal, Johannes

    2015-04-01

    Inorganic bromine contributes to a loss of stratospheric ozone of about 25 - 30%. Past studies have demonstrated several uncertainties in the photochemistry of stratospheric bromine, especially by considering the three body reaction (kBrONO2) BrO + NO2 + M → BrONO2 + M, and the photolysis frequencies of BrONO2 (jBrONO2). Hence, an improved knowledge of the ratio jBrONO2/kBrONO2 is crucial to better assess the bromine-related loss of ozone as well as the total amount of bromine in the stratosphere. Here, we report on the first simultaneous balloon-borne measurements of NO2, BrO, and BrONO2 in the stratosphere, performed over Timmins (Ontario, 49 °N, Canada) on Sept., 7th and 8th, 2014. During the flight the targeted species were monitored by remote sensing in the UV, visible and mid-IR spectral ranges by Differential Optical Absorption Spectroscopy (DOAS) and Michelson Interferometer for Passive Atmospheric Sounding (MIPAS-B), respectively. The analysis and interpretation of the measurements involves radiative transfer as well as photochemical modelling. Major features of the applied techniques are reported and first results of the DOAS as well as MIPAS-B evaluation are discussed. Further investigations address inter-comparisons of the retrieved NO2, BrO, and O3 concentrations and volume mixing ratios, to demonstrate validations of both evaluation methods.

  3. Measurement of the absorption cross sections of SiCl_4, SiCl_3, SiCl_2 and Cl at H Lyman-α wavelength

    OpenAIRE

    Mével, R.; Catoire, L.; M. Fikri; Roth, P.

    2013-01-01

    Atomic resonance absorption spectroscopy coupled with a shock tube is a powerful technique for studying high temperature dynamics of reactive systems. Presently, high temperature pyrolysis of SiCl_4–Ar mixtures has been studied behind reflected shock waves. Using time-resolved absorption profiles at 121.6 nm and a detailed reaction model, the absorption cross sections of SiCl_4, SiCl_3, SiCl_2 and Cl have been measured. Results agree well with available data for SiCl_4 and constitute, to our ...

  4. clOpenCL - supporting distributed heterogeneous computing in HPC clusters

    OpenAIRE

    Alves, Albano; Rufino, José; Pina, António; Santos, Luis Paulo

    2013-01-01

    Clusters that combine heterogeneous compute device architectures, coupled with novel programming models, have created a true alternative to traditional (homogeneous) cluster computing, allowing to leverage the performance of parallel applications. In this paper we introduce clOpenCL, a platform that supports the simple deployment and efficient running of OpenCL-based parallel applications that may span several cluster nodes, expanding the original single-node OpenCL model. clOpenCL is deploye...

  5. Les guides et inventaires patrimoniaux au Brésil

    OpenAIRE

    Kühl, Beatriz Mugayar

    2014-01-01

    La production des guides du patrimoine au Brésil, caractérisée par son extrême hétérogénéité, s’appuie dans la plupart des cas sur des listes de biens classés ou sur des inventaires qui ne garantissent pas la protection légale des édifices et qui sont souvent limités à de brèves descriptions sans ou avec peu d’analyses. Alors que des récits plus anciens de voyageurs présentaient des descriptions de villes, d’édifices et de paysages, tout en apportant un regard critique extérieur sur la réalit...

  6. Electrical conductivity studies on CuBr containing Al2O3 particles

    Science.gov (United States)

    Dubec, P. M.; Wagner, J. B., Jr.

    1984-01-01

    The conductivity of CuBr was studied and the role of a second phase, Al2O3, dispersed in CuBr was tested. CuBr melts at 493 C and exhibits three phases in the solid state. CuBr is a good ionic conductor with a transport number for copper ions of virtually unity with weighed proportions of the appropriate chemicals used. The CuBr materials were heated above melting point of CuBr, and the samples were sandwiched between copper electrodes. The ac conductivity, was determined at 1 kHz between 25 and 440 C depending on the sample. It was shown that at low temperatures, the conductivity for CuBr (Al2O3) increased by as much as 100, whereas in the beta phase the conductivity of CuBr containing Al2O3 decreased. The electrical conductivity studies are in agreement with earlier data.

  7. Two new diterpenoids from Leonotis leonurus R. Br.

    Science.gov (United States)

    Narukawa, Yuji; Komori, Miyuki; Niimura, Akiko; Noguchi, Hitomi; Kiuchi, Fumiyuki

    2015-01-01

    Two new diterpenoids, 14α-hydroxy-9α,13α-epoxylabd-5(6)-en-7-on-16,15-olide (1) and 13ξ-hydroxylabd-5(6),8(9)-dien-7-on-16,15-olide (2) along with six known diterpenoids were isolated from the aerial parts of Leonotis leonurus R. Br. These structures were determined on the basis of spectroscopic analyses. Some of the isolated compounds showed weak to moderate estrogen sulfotransferase inhibitory activity.

  8. 75 FR 59071 - Airworthiness Directives; Bombardier, Inc. Model CL-600-2B16 (CL-604 Variants (Including CL-605...

    Science.gov (United States)

    2010-09-27

    ... in the Federal Register on June 2, 2010 (75 FR 30740). That NPRM proposed to correct an unsafe...'' under the DOT Regulatory Policies and Procedures (44 FR 11034, February 26, 1979); and 3. Will not have.... Model CL-600-2B16 (CL- 604 Variants (Including CL-605 Marketing Variant)) Airplanes AGENCY:...

  9. Structure and function of collectin liver 1 (CL-L1) and collectin 11 (CL-11, CL-K1)

    DEFF Research Database (Denmark)

    Selman, Lana; Hansen, Soren

    2012-01-01

    to l-fucose and d-mannose, whereas CL-L1 shows preference for d-mannose, d-fucose, N-acetylglucosamine, and surprisingly also d-galactose. CL-11 binds to various microorganisms including Escherichia coli, Candida albicans and Influenza A virus. Polymorphisms in the CL-11 gene (COLEC11) leading...

  10. First hydrothermal synthesis of Bi{sub 5}O{sub 7}Br and its photocatalytic properties for molecular oxygen activation and RhB degradation

    Energy Technology Data Exchange (ETDEWEB)

    Su, Yurong; Ding, Chenghua; Dang, Yuanlin [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Wang, Hui [CAS Key Laboratory of Nuclear Radiation and Nuclear Energy Techniques, and Multidisciplinary Initiative Center, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China); Ye, Liqun, E-mail: yeliquny@163.com [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Jin, Xiaoli [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Xie, Haiquan, E-mail: Xie-hq@163.com [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China); Liu, Chao [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China)

    2015-08-15

    Graphical abstract: Bi{sub 5}O{sub 7}Br was firstly synthesized by via hydromel method and showed good photocatalytic properties for molecular oxygen activation and RhB degradation. - Highlights: • Bi{sub 5}O{sub 7}Br, a new Bi{sub x}O{sub y}X{sub z} semiconductor photocatalyst was firstly synthesized by via hydromel method. • As-synthesized Bi{sub 5}O{sub 7}Br can effectively activate molecular oxygen under UV–vis light irradiation. • The appearance of Bi{sub 5}O{sub 7}Br photocatalysis enriched the Bi-O-X photocatalysts. - Abstract: Comparing with BiOX (X = Cl, Br, I), Bi{sub x}O{sub y}X{sub z} as the newest bismuth-based photocatalysts have more appropriate conduction band position. And so, they can be used to active molecular oxygen. In this paper, Bi{sub 5}O{sub 7}Br, a new Bi{sub x}O{sub y}X{sub z} semiconductor photocatalyst was firstly synthesized by via hydromel method. It was characterized by X-ray diffraction (XRD), UV–visible diffused reflectance spectra (DRS), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM) and the corresponding selected-area electron diffraction (SAED) pattern. It can be found that the crystal structure and morphology are same with Bi{sub 5}O{sub 7}I. The size of a single rod is about 2 μm in width and 50 μm in length. As-synthesized Bi{sub 5}O{sub 7}Br can effectively activate molecular oxygen to generate superoxide radical (O{sub 2}{sup •} {sup −}) and hydroxyl radical (• OH) under UV–vis light irradiation. And it also showed high photocatalytic activity than BiOBr for the degradation of dyes. Thus, it can be seen, the appearance of Bi{sub 5}O{sub 7}Br photocatalysis enriched the bismuth-rich strategy of Bi-O-X photocatalysts.

  11. Optimized Control Rods of the BR2 Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Kalcheva, Silva; Koonen, E.

    2007-09-15

    At the present time the BR-2 reactor uses control elements with cadmium as neutron absorbing part. The lower section of the control element is a beryllium assembly cooled by light water. Due to the burn up of the lower end of the cadmium section during the reactor operation, the presently used rods for reactivity control of the BR-2 reactor have to be replaced by new ones. Considered are various types Control Rods with full active part of the following materials: cadmium (Cd), hafnium (Hf), europium oxide (Eu2O3) and gadolinium (Gd2O3). Options to decrease the burn up of the control rod material in the hot spot, such as use of stainless steel in the lower active part of the Control Rod are discussed. Comparison with the characteristics of the presently used Control Rods types is performed. The changing of the characteristics of different types Control Rods and the perturbation effects on the reactor neutronics during the BR-2 fuel cycle are investigated. The burn up of the Control Rod absorbing material, total and differential control rods worth, macroscopic and effective microscopic absorption cross sections, fuel and reactivity evolution are evaluated during approximately 30 operating cycles.

  12. Bréal, un antinaturalisme d’inspiration humboldtienne

    Directory of Open Access Journals (Sweden)

    Babu Jean-Philippe

    2014-07-01

    Full Text Available Dans De la forme et de la fonction des mots, Bréal formulait, dès 1866, outre une critique générale du formalisme de la philologie comparative depuis Bopp, une thèse radicalement opposée à l’orientation naturaliste de l’évolutionnisme linguistique de Schleicher. Cette thèse, que nous prendrons le risque de définir comme thèse du primat de la fonction sur la forme linguistique, est au coeur de ce programme de linguistique générale pour lequel Bréal allait forger, quelques années plus tard, le mot de sémantique. Fortement marqué par la notion humboldtienne d’innere Sprachform, Bréal, contrairement à Saussure, n'abandonnera jamais le changement linguistique au hasard de l'histoire et maintiendra l'intelligence comme premier moteur des langues, quitte à poser la nécessité de repenser cette intelligence.

  13. Longpath DOAS observations of surface BrO at Summit, Greenland

    OpenAIRE

    Stutz, J.; Thomas, J. L.; S. C. Hurlock; Schneider, M; Glasow, R.; M. Piot; K. Gorham; Burkhart, J. F; Ziemba, L.; J. E. Dibb; B. L. Lefer

    2011-01-01

    Reactive halogens, and in particular bromine oxide (BrO), have frequently been observed in regions with large halide reservoirs, for example during bromine catalyzed coastal polar ozone depletion events. Much less is known about the presence and impact of reactive halogens in areas without obvious halide reservoirs, such as the polar ice sheets or continental snow. <br>> We report the first LP-DOAS measurements of BrO at Summit research station in the center of the Greenland ic...

  14. VSLS Bry estimation from SMILES BrO observation

    Science.gov (United States)

    Suzuki, Makoto; Shiotani, Masato; Mitsuda, Chihiro; Manago, Naohiro; Kinnison, Douglas; Imai, Koji; Ozeki, Hiroyuki

    Very Short Lived Source (VSLS) gases of Bry have been investigated, since it affects the chemistry of the stratosphere such as the long term recovery of the Ozone layer. VSLS Bry can be estimated from the difference of observed and model BrO value and the Bry/BrO calculated by the model. But previous VSLS Bry estimation spread over 4-8 ppt, due to the large uncertainty of the BrO observation. In this paper, we will report the SMILES (Superconducting Submillimeter-wave Limb Emission Sounder) BrO observation, and VSLS Bry estimation using SMILES L2 and Specified Dynamics WACCM Model (nudged to GEOS-5 data) calculation. SMILES operated on the ISS from Oct. 12, 2009 to Apr. 21, 2010. Since the detector (Superconductor-Insulator-Superconductor: SIS mixer) was cooled down to 4K, SMILES showed system noise figure, Tsys 250K, or spectral noise floor 0.4K, which gave one order better signal to noise ratio compared to previous sub-mm observations from space (Aura/MLS and Odin/SMR). SMILES VSLS Bry estimate (mean of 34 and 37 km) are about 4 pptv for Band A  (625 GHz), and about 5 pptv for Band C (650 GHz) for 10° latitude bins. Estimates become slightly lower in 30S-20S and 20S-10S, but are agreed within 4.63 5.27 pptv at 10S-50N at 34 km. VSLS Bry using v2.3 Band C BrO at 34 km as following, 30S-20S (3.26±0.66 pptv), 20S-10S (3.77±0.88), 10S-EQ (4.63±0.83), EQ-10N (4.67±0.58 ppt), 10N-20N (4.99±0.54), 20N-30N (5.27±0.59), 30N-40N (4.87±0.67). and 40N-50N (4.91±0.70).

  15. Ustioni da fuoco / Burn injuries / Les brûlures

    Directory of Open Access Journals (Sweden)

    Liliana Copertino

    2008-04-01

    Full Text Available Severe burn injuries require high specialistic treatment. Burn injuries are common in disasters and war scenarios, so war medicine has been fundamental to improve treatment protocols for burn patients..Burn injuries are classified according to the etiopathogenetic agent (physical, chemical or radiation, that determines different anatomoisthologic aspects.An estimation of the depth and extension are fundamental for defining the gravity of the burn. Critical burn patients have to be transported in specialistic Centers. There they are treated by multispecialistic teams from the resuscitation phase to the reconstructive surgery and specialist rehabilitation.. This process can continue for two years with the objective to return patients to a quiet normal life. Les brûlures sont des lésions traumatiques qui requièrent un traitement spécialisé. Lors de catastrophes et de guerres, les brûlures sont des lésions très fréquentes et la médecine de guerre a contribué à faire avancer la science de manière importante, dans le traitement de cette pathologie.Les brûlures sont classées en fonction de l'agent étiopathogénique (agents physiques, chimiques ou radiations dont le mécanisme d'action qui provoque la lésion cause des aspects anatomohistologiques caractéristiques.Pour définir la sévérité d'une brûlure, il est aussi fondamental d'éstimer l'extension de la surface corporelle et la profondeur de l'épiderme, et éventuellement du derme, atteints. Les patients gravement brûlés doivent être hospitalisés dans des Centres Spécialisés où des équipes multispécialistes les suivent de la phase initiale de la réanimation aux phases de chirurgie reconstructive et au processus de réhabilitation. Ces dernières phases peuvent se prolonger pendant les deux années suivant le traumatisme avant qu'une réintégration dans une vie sociale acceptable ne puisse être faite.

  16. BrO in the arctic atmosphere in spring 2007

    Science.gov (United States)

    Prados Roman, C.; Butz, A.; Deutschmann, T.; Dorf, M.; Kritten, L.; Minikin, A.; Platt, U.; Schlager, H.; Pfeilsticker, K.

    2009-12-01

    Within the ASTAR 2007 campaign ("Arctic Study of Tropospheric Aerosol, Clouds and Radiation", IPY 2007/8) that took place in Svalbard (78°N) in April 2007, spectroscopic limb scattered skylight measurements were performed from aboard the DLR (Deutsches Zentrum für Luft- und Raumfahrt) Falcon aircraft. By applying the Differential Optical Absorption Spectroscopy technique (DOAS), we attempted to detect the mixing ratio vertical profiles of O3, NO2, BrO, OClO, IO, OIO, HONO, C2H2O2, CH2O, H2O and O4 from the boundary layer (BL), up to the lowermost stratosphere within the arctic atmosphere. Here we will focus on the detection of BrO and its vertical profile retrieval. Even though the limb DOAS measurements are extremely sensitive regarding the detection of trace gases (i.e., limit for the BrO detection ~1 pptv), the challenge of the profile retrieval comes with dealing appropriately with the actual Radiative Transfer (RT) processes in the atmosphere (e.g., Rayleigh and Mie scattering). Here, our approach is based on the retrieval of the Mie scattering extinction profile from measured radiance ratios, validated using in-situ measured aerosol and cloud particle concentrations. This information is then fed into forward RT calculations in order to obtain the proper kernel for mathematical inversion of the measured slant column absorption. The inverted O4 profile is used as a proof of the viability of this method and, finally, the vertical profile of the BrO mixing ratio is retrieved. In general, results of the ASTAR 2007 flights indicate that bromine explosions and ozone depletion events (ODEs) were occurring above the arctic first-year sea ice in non-hazy conditions in April 2007. In particular, the flight on the 8th April 2007 shows largely depleted O3 (environment will be presented. In addition, the source of our BrO data will be discussed (e.g. BL or stratospheric signal, etc).

  17. Infection of mice with oocysts of Toxoplasma gondii by oral route showed differences of virulence from Brazilian RFLP genotypes BrI and BrIII.

    Science.gov (United States)

    Chiebao, Daniela Pontes; Pena, Hilda Fátima de Jesus; Cabral, Aline Diniz; Rocca, Mayra Pereira; Lopes, Estela Gallucci; Valadas, Samantha Yuri Oshiro Branco; Keid, Lara Borges; Grisi Filho, José Henrique Hildebrand; Soares, Rodrigo Martins

    2016-08-01

    South American strains of Toxoplasma gondii present higher genetic diversity than classical European strains. We compared the virulence of two non-archetypal Brazilian genotypes of T. gondii to mice. Oocysts of four isolates, two genotype BrI (TgCatBr71 and TgShBr11) and two BrIII (TgCatBr74 and TgCatBr60) were obtained from cats fed experimentally infected mice. After sporulation, 5.0×10(1) and 1.0×10(2) oocysts were orally administrated to Swiss albine mice in Experiments #1 and #2, respectively (4-10 mice/group). Humoral response from dead and surviving mice was analyzed on days 9 to 35 post-infection. Microscopic observations of lungs and brains were performed for tachyzoites and cysts visualization in fresh preparations. Negative results were tested by PCR. Virulence after infection with oocysts is dose dependent for genotype BrIII isolates, but not for BrI. Differences in mortality were observed among isolates from genotype BrIII on Experiment #1. Intra-genotype phenotypic variation related to the parasite stage of infection was demonstrated and this characteristic should be further studied and may influence future work regarding the role of virulence amid hosts. PMID:27474004

  18. "Brücke dreht sich um!". A Deconstructionist Reading of Kafka's "Die Brücke"

    Directory of Open Access Journals (Sweden)

    Eva Hoffmann

    2014-12-01

    Full Text Available Franz Kafka's (1883-1924 "Die Brücke" is one of the less well-known texts by one of the most prolific authors of literary modernity. However, this short prose text embodies prevalent questions of literary modernity and philosophy as it reflects the crisis of language in regard of identity, communication, and literary production. Placed in the context of fin-de-siècle's discourse of language crisis, this article provides a dialogue between Kafka's "Die Brücke" and Hannah Arendt's (1906-1975 philosophy of thinking and speaking in The Life of the Mind. Contrary to Arendt's understanding of the metaphor as "a carrying over" between the mental activities of the solitude thinker and a reconciliation with the pluralistic world shared with others, this article argues for a deconstructionist reading of "Die Brücke" as a tool to reevaluate Arendt's notion of a shared human experience ensured through language and illustrates the advantages of poetic texts within philosophical discourses.

  19. Synthesis and Crystal Structure of a Novel Mixed Nido-like and Half-open Cubane-like Cluster [(n-Bu)4N]3[MoS4Cu5Br6

    Institute of Scientific and Technical Information of China (English)

    LIU,Quai(刘泉); XU,Qing-Feng(徐庆锋); ZHANG,Yong(张勇); CHEN,Jin-Xiang(陈金香); ZHOU,Zhi-Feng(周志峰); LANG,Jian-Ping(郎建平)

    2002-01-01

    Reaction of (NH4)2MoS4 with [Cu(MeCN)4] (BF4) and (nBu)4NBr in CH2Cl2 afforded a new hexanuclear cluster [ ( nBu)4N]3[MoS4Cu5Br6] (1). 1 crystallizes in the monoclinic system, space group P21/c, with lattice parameters a =1.17383(4) nm, b = 2.40136(4) nm, c = 2.64112(5) nm,β =94.2020(5)°, V=7.4247(5) nm3andZ=4. The structure of the [MoS4Cu5Br6]3- trianion of 1 is composed of one nidolike [MoS3Cu3] core and one half-open cubane-like [MoS3Cu3Br] core, which are interconnected by sharing the of 0.2622(6)-0.2692(5) nm.

  20. Biodegradation of the Nitramine Explosive CL-20

    OpenAIRE

    Trott, Sandra; Nishino, Shirley F.; Hawari, Jalal; Spain, Jim C.

    2003-01-01

    The cyclic nitramine explosive CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) was examined in soil microcosms to determine whether it is biodegradable. CL-20 was incubated with a variety of soils. The explosive disappeared in all microcosms except the controls in which microbial activity had been inhibited. CL-20 was degraded most rapidly in garden soil. After 2 days of incubation, about 80% of the initial CL-20 had disappeared. A CL-20-degrading bacterial strain, Agrobact...

  1. Spectroelectrochemistry of EuCl3 in four molten salt eutectics; 3 LiCl – NaCl, 3 LiCl – 2 KCl, LiCl – RbCl, and 3 LiCl – 2 CsCl; at 873 K

    Energy Technology Data Exchange (ETDEWEB)

    Schroll, Cynthia A.; Chatterjee, Sayandev; Levitskaia, Tatiana G.; Heineman, William R.; Bryan, Samuel A.

    2016-05-17

    Key electrochemical properties affecting pyroprocessing of nuclear fuel were examined in four eutectic melts using using Eu3+/2+ as a representative probe. We report the electrochemical and spectroelectrochemical behavior of EuCl3 in four molten salt eutectics (3 LiCl – NaCl, 3 LiCl – 2 KCl, LiCl – RbCl and 3 LiCl – 2 CsCl) at 873 K. Cyclic voltammetry was used to determine the redox potential for Eu3+/2+ and the applied potentials for spectroelectrochemistry. Single step chronoabsorptometry and thin-layer spectroelectrochemistry were used to obtain the number of electrons transferred, redox potentials and diffusion coefficients for Eu3+ in each eutectic melt. The redox potentials determined by thin-layer spectroelectrochemistry were extremely close to those obtained using cyclic voltammetry. The redox potential for Eu3+/2+ was most positive in the 3 LiCl - NaCl melt, showed a negative shift in the 3 LiCl - 2 KCl melt, and was the most negative in the LiCl - RbCl and 3 LiCl - 2 CsCl eutectics. The diffusion coefficient for Eu3+ followed this same trend; it was the largest in the 3 LiCl - NaCl melt and the smallest in the LiCl - RbCl and 3 LiCl - 2 CsCl melts. The basic one-electron reversible electron transfer for Eu3+/2+ was not changed by melt composition.

  2. Reactions Between Humic Acid Solutions and Excessive ClO2 or Cl2

    Institute of Scientific and Technical Information of China (English)

    GE Yuan-xin; ZHU Zhi-liang; MA Hong-mei; ZHAO Jian-fu

    2007-01-01

    Reactions between humic acid solutions and excessive ClO2 or Cl2 have been investigated. Under various experimental conditions, the removal efficiency of TOC, UV254 and A140 from humic acid solutions were examined. The relationship between the removal efficiency and the consumption of ClO2 or Cl2 was discussed. The results showed that the maximum demand of ClO2 was 2.19 mg/mg TOC for the humic acid solution under the experimental conditions, and that of Cl2 was 1.88 mg/mg TOC. The variation tendency of ClO2 consumption was similar to that of Cl2. TOC of humic acid solutions decreased 15.2% and 15.6% after the reaction with ClO2 or Cl2 respectively. Under the experimental conditions, 21.4% of unsaturated bonds and 52.8% of humic acid color were removed by ClO2 in 168 h. As for Cl2, removal efficiency of unsaturated bonds and humic acid color were 16.8% and 41.7% respectively. Larger molecules from humic acid were oxidized to smaller molecules by ClO2 and Cl2. Higher oxidation potential of ClO2 than that of Cl2 was also indicated by variation of UV254/A410 ratios. The similar tendency, that exhibited faster variation in the initial 24 h, existed for all the research factors.

  3. Molecular elimination of Br{sub 2} in photodissociation of CH{sub 2}BrC(O)Br at 248 nm using cavity ring-down absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fan He; Tsai, Po-Yu; Lin, King-Chuen [Department of Chemistry, National Taiwan University, Taipei 106, Taiwan and Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan (China); Lin, Cheng-Wei; Yan, Chi-Yu; Yang, Shu-Wei; Chang, A. H. H. [Department of Chemistry, National Dong Hwa University, Shoufeng, Hualien 974, Taiwan (China)

    2012-12-07

    The primary elimination channel of bromine molecule in one-photon dissociation of CH{sub 2}BrC(O)Br at 248 nm is investigated using cavity ring-down absorption spectroscopy. By means of spectral simulation, the ratio of nascent vibrational population in v = 0, 1, and 2 levels is evaluated to be 1:(0.5 {+-} 0.1):(0.2 {+-} 0.1), corresponding to a Boltzmann vibrational temperature of 581 {+-} 45 K. The quantum yield of the ground state Br{sub 2} elimination reaction is determined to be 0.24 {+-} 0.08. With the aid of ab initio potential energy calculations, the obtained Br{sub 2} fragments are anticipated to dissociate on the electronic ground state, yielding vibrationally hot Br{sub 2} products. The temperature-dependence measurements support the proposed pathway via internal conversion. For comparison, the Br{sub 2} yields are obtained analogously from CH{sub 3}CHBrC(O)Br and (CH{sub 3}){sub 2}CBrC(O)Br to be 0.03 and 0.06, respectively. The trend of Br{sub 2} yields among the three compounds is consistent with the branching ratio evaluation by Rice-Ramsperger-Kassel-Marcus method. However, the latter result for each molecule is smaller by an order of magnitude than the yield findings. A non-statistical pathway so-called roaming process might be an alternative to the Br{sub 2} production, and its contribution might account for the underestimate of the branching ratio calculations.

  4. Improved Growth Methods for LaBr3 Scintillation Radiation Detectors

    Energy Technology Data Exchange (ETDEWEB)

    McGregor, Douglas S

    2011-05-01

    The objective is to develop advanced materials for deployment as high-resolution gamma ray detectors. Both LaBr3 and CeBr3 are advanced scintillation materials, and will be studied in this research. Prototype devices, in collaboration Sandia National Laboratories, will be demonstrated along with recommendations for mass production and deployment. It is anticipated that improved methods of crystal growth will yield larger single crystals of LaBr3 for deployable room-temperature operated gamma radiation spectrometers. The growth methods will be characterized. The LaBr3 and CeBr3 scintillation crystals will be characterized for light yield, spectral resolution, and for hardness.

  5. un clúster empresarial

    Directory of Open Access Journals (Sweden)

    Laura Marcela López Posada

    2006-01-01

    Full Text Available Los clústeres empresariales se han constituido en mecanismos para impulsar la competitividad de sectores en regiones y tradicionalmente han sido analizados desde la perspectiva económica (por su aporte en variables macroeconómicas, pero para su consolidación todo conglomerado empresarial requiere la comprensión de relaciones sociales, culturales y políticas. Resulta difícil estudiar estas relaciones desde teorías organizacionales tradicionales como la estructuralista o la contingencial, y se debe recurrir a otras perspectivas como el neoinstitucionalismo sociológico, enfoque que es utilizado en la presente investigación. La investigación fundamento del artículo se hizo en un sector considerado dinámico para el eje cafetero como es el de herramientas, la cual fue abordada desde un enfoque cualitativo mediante la aplicación de dos guías de entrevista semiestructurada (se aplicaron a treinta empresas de la cadena productiva y a nueve entidades de apoyo, diario de campo y análisis de fuentes documentales. Se concluye que en el clúster predominan el individualismo, la descon- fianza y la ausencia de elementos identitarios, simultáneamente con fuertes lazos comerciales y prácticas de gestión que se han institucionalizado por procesos isomórficos.

  6. Biodegradation of the nitramine explosive CL-20.

    Science.gov (United States)

    Trott, Sandra; Nishino, Shirley F; Hawari, Jalal; Spain, Jim C

    2003-03-01

    The cyclic nitramine explosive CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane) was examined in soil microcosms to determine whether it is biodegradable. CL-20 was incubated with a variety of soils. The explosive disappeared in all microcosms except the controls in which microbial activity had been inhibited. CL-20 was degraded most rapidly in garden soil. After 2 days of incubation, about 80% of the initial CL-20 had disappeared. A CL-20-degrading bacterial strain, Agrobacterium sp. strain JS71, was isolated from enrichment cultures containing garden soil as an inoculum, succinate as a carbon source, and CL-20 as a nitrogen source. Growth experiments revealed that strain JS71 used 3 mol of nitrogen per mol of CL-20. PMID:12620886

  7. LiYbCl4(THF4

    Directory of Open Access Journals (Sweden)

    Lukas Richtera

    2011-06-01

    Full Text Available The title compound, di-μ-chlorido-dichlorido-1κ2Cl-tetrakis(tetrahydrofuran-1κ2O,2κ2O-lithiumytterbium(III, [LiYbCl4(C4H8O4], was prepared by the reaction of YbCl3(THF3 with LiCl in THF (THF is tetrahydrofuran. The central motif of the structure is a Yb(μ-Cl2Li ring. The Yb atom is hexacoordinated to four Cl atoms and two THF molecules oriented in a trans fashion. The Li atom has a tetrahedral environment and is coordinated to two Cl atoms and two THF molecules. No intermolecular interactions other than van der Waals forces were observed. Two of the THF molecules are disordered over two positions.

  8. Thermodynamic Optimization of DyCl3 -NaCl System

    Institute of Scientific and Technical Information of China (English)

    叶信宇; 孙益民; 张静; 谈君君

    2005-01-01

    In this paper, the phase diagram of the DyCl3 -NaCl system is optimized and calculated with CALPHAD ( calculation of phase diagram ) technology. A set of thermodynamic functions of compounds Na3 DyCl6, NaDyCl4, and NaDY2 Cl7 have been optimized and calculated based on an interactive computer-assisted analysis. The optimized thermodynamic parameters, calculated phase diagram and experimental phase diagram are thermodynamically serf-consistent.

  9. PHARMACOGNOSTIC AND PHYTOCHEMICAL STUDY OF CHLOROPHYTUM LAXUM R. BR.

    Directory of Open Access Journals (Sweden)

    Patil Vishal Narayan

    2011-06-01

    Full Text Available Chlorophytum laxum R. Br. belongs to family Liliaceae and is being used in the indigenous systems of medicine as a galactogogue and aphrodisiac. It is being sold in the market under the common name “safed musali”. The white tuberous roots of this plant are the medicinally useful parts. The tuberous roots of other species of Chlorophytum, Asparagus, Bombax and Orchids are also sometimes called safed musali leading to confusion. In order to ensure correct botanical standardization, the detailed pharmacognostic study on tuberous roots of Chlorophytum laxum has been carried out in this study.

  10. Refurbishment of BR2 (Phases 4 and 5)

    Energy Technology Data Exchange (ETDEWEB)

    Gubel, P.; Dekeyser, J.; Van Der Auwera, J

    1998-07-01

    The BR2 is a materials testing reactor and is SCK-CEN's most important nuclear facility. After an extensive refurbishment to compensate for the ageing of the installation, the reactor was restarted in April 1997. In phase 4 of the refurbishment programme, various activities were performed to allow reactor start-up. In phase 5, remaining refurbishment works were carried out as well as the extra studies and upgradings required by the licensing authorities. Major achievements in 1997 are described and discussed.

  11. A Discharge-Excited SrBr2 Vapour Laser

    Institute of Scientific and Technical Information of China (English)

    潘佰良; 姚志欣; 陈钢

    2002-01-01

    A new-style discharge tube for a metal vapour laser has been designed and built. SrBr2 was successfullyused to replace the metal strontium as a working medium. Multi-line laser oscillations from resonance tometastable transition of strontium atoms (6.45um), ions (1.03um/1.O9um) and from strontium ion recombi-nation (416.2nm/430.5nm) have been obtained through longitudinal pulsed discharge. The problem of an in-compatibility reaction between metallic strontium and the discharge tube in the strontium vapour laser has beensolved. Some proposals are presented for further developments of strontium halide lasers.

  12. Planetary3br: Three massive body resonance calculator

    Science.gov (United States)

    Gallardo, Tabaré

    2016-07-01

    Given two planets P1 and P2 with arbitrary orbits, planetary3br calculates all possible semimajor axes that a third planet P0 can have in order for the system to be in a three body resonance; these are identified by the combination k0*P0 + k1*P1 + k2*P2. P1 and P2 are assumed to be not in an exact two-body resonance. The program also calculates three "strengths" of the resonance, one for each planet, which are only indicators of the dynamical relevance of the resonance on each planet. Sample input data are available along with the Fortran77 source code.

  13. X-ray transitions in Br XXIV-XXVIII

    International Nuclear Information System (INIS)

    Transitions in the wavelength region 4.9-8.1 A from Br , , , , and have been identified in spectra from laser-produced plasmas. The identifications were made using ab initio calculations of wavelengths and oscillator strengths. Spatially resolved spectra were recorded for laser irradiation intensities from 3 x 10/sup 13/ to 4 x 10/sup 14/ W/cm2. The dependence of the spectral lines on the distance from the target and on the irradiation intensity was very useful in distinguishing the transitions from different ionization stages

  14. Brüssel enne Moskvat / Markus Meckel, Matthias Wissmann

    Index Scriptorium Estoniae

    Meckel, Markus

    2005-01-01

    Saksa liiduparlamendi sotsiaaldemokraatide fraktsiooni liikme Markus Meckeli ja Saksa liiduparlamendi Euroopa komisjoni esimehe Matthias Wissmanni avaldus, milles nad kutsuvad tunnistama Balti riikide ajalugu ja korraldama päev enne Moskvas toimuvat Teise maailmasõja lõppu tähistavat üritust Brüsselis sõja lõpu 60. aastapäeva mälestusürituse. Artikkel ilmus samaaegselt ajalehtedes International Herald Tribune, Die Welt, Die Presse, Le Figaro, Gazeta Wyborcza, Lietuvas rytas, Diena

  15. Adidas Suomi Oy: Brändikuvan rakentaminen markkinoinnin keinoin

    OpenAIRE

    Leinonen, Miira

    2015-01-01

    Tämä opinnäytetyö tehtiin toimeksiantona Adidas Suomi Oy:lle syksyllä 2014. Opinnäytetyön tavoitteena oli selvittää muotialan mielipidevaikuttajien mielikuvat Adidaksesta ja sen merkittävimmistä kilpailijoista. Vertailtaviksi brändeiksi valittiin kuusi tärkeintä kilpailijaa, jotka ovat Converse, Karhu, New Balance, Nike, Puma ja Reebok. Opinnäytetyön toimeksiantaja Adidas Suomi Oy on osa kansainvälistä Adidas Group konsernia. Yritys on yksi maailman tunnetuimmista urheilumerkeistä ja toim...

  16. Measurement of the Ratio BR(B- --> D*0 K-)/BR(B- --> D*0 pi-) and of the CP Asymmetry of B- --> D*0(CP+) K- Decays

    CERN Document Server

    Aubert, B; Boutigny, D; Couderc, F; Gaillard, J M; Hicheur, A; Karyotakis, Yu; Lees, J P; Tisserand, V; Zghiche, A; Palano, A; Pompili, A; Chen, J C; Qi, N D; Rong, G; Wang, P; Zhu, Y S; Eigen, G; Ofte, I; Stugu, B; Abrams, G S; Borgland, A W; Breon, A B; Brown, D N; Button-Shafer, J; Cahn, R N; Charles, E; Day, C T; Gill, M S; Gritsan, A V; Groysman, Y; Jacobsen, R G; Kadel, R W; Kadyk, J; Kerth, L T; Kolomensky, Yu G; Kukartsev, G; Lynch, G; Mir, L M; Oddone, P J; Orimoto, T J; Pripstein, M; Roe, N A; Ronan, Michael T; Shelkov, V G; Wenzel, W A; Barrett, M; Ford, K E; Harrison, T J; Hart, A J; Hawkes, C M; Morgan, S E; Watson, A T; Fritsch, M; Goetzen, K; Held, T; Koch, H; Lewandowski, B; Pelizaeus, M; Steinke, M; Boyd, J T; Chevalier, N; Cottingham, W N; Kelly, M P; Latham, T E; Wilson, F F; Çuhadar-Dönszelmann, T; Hearty, C; Knecht, N S; Mattison, T S; McKenna, J A; Thiessen, D; Khan, A; Kyberd, P; Teodorescu, L; Blinov, A E; Blinov, V E; Druzhinin, V P; Golubev, V B; Ivanchenko, V N; Kravchenko, E A; Onuchin, A P; Serednyakov, S I; Skovpen, Yu I; Solodov, E P; Yushkov, A N; Best, D; Bruinsma, M; Chao, M; Eschrich, I; Kirkby, D; Lankford, A J; Mandelkern, M A; Mommsen, R K; Röthel, W; Stoker, D P; Buchanan, C; Hartfiel, B L; Foulkes, S D; Gary, J W; Shen, B C; Wang, K; Del Re, D; Hadavand, H K; Hill, E J; MacFarlane, D B; Paar, H P; Rahatlou, S; Sharma, V; Berryhill, J W; Campagnari, C; Dahmes, B; Levy, S L; Long, O; Lu, A; Mazur, M A; Richman, J D; Verkerke, W; Beck, T W; Eisner, A M; Heusch, C A; Lockman, W S; Nesom, G; Schalk, T; Schmitz, R E; Schumm, B A; Seiden, A; Spradlin, P; Williams, D C; Wilson, M G; Albert, J; Chen, E; Dubois-Felsmann, G P; Dvoretskii, A; Hitlin, D G; Narsky, I; Piatenko, T; Porter, F C; Ryd, A; Samuel, A; Yang, S; Jayatilleke, S M; Mancinelli, G; Meadows, B T; Sokoloff, M D; Abe, T; Blanc, F; Bloom, P; Chen, S; Ford, W T; Nauenberg, U; Olivas, A; Rankin, P; Smith, J G; Zhang, J; Zhang, L; Chen, A; Harton, J L; Soffer, A; Toki, W H; Wilson, R J; Zeng, Q L; Altenburg, D; Brandt, T; Brose, J; Dickopp, M; Feltresi, E; Hauke, A; Lacker, H M; Müller-Pfefferkorn, R; Nogowski, R; Otto, S; Petzold, A; Schubert, J; Schubert, Klaus R; Schwierz, R; Spaan, B; Sundermann, J E; Bernard, D; Bonneaud, G R; Brochard, F; Grenier, P; Schrenk, S; Thiebaux, C; Vasileiadis, G; Verderi, M; Bard, D J; Clark, P J; Lavin, D; Muheim, F; Playfer, S; Xie, Y; Andreotti, M; Azzolini, V; Bettoni, D; Bozzi, C; Calabrese, R; Cibinetto, G; Luppi, E; Negrini, M; Piemontese, L; Sarti, A; Treadwell, E; Baldini-Ferroli, R; Calcaterra, A; De Sangro, R; Finocchiaro, G; Patteri, P; Piccolo, M; Zallo, A; Buzzo, A; Capra, R; Contri, R; Crosetti, G; Lo Vetere, M; Macri, M; Monge, M R; Passaggio, S; Patrignani, C; Robutti, E; Santroni, A; Tosi, S; Bailey, S; Brandenburg, G; Morii, M; Won, E; Dubitzky, R S; Langenegger, U; Bhimji, W; Bowerman, D A; Dauncey, P D; Egede, U; Gaillard, J R; Morton, G W; Nash, J A; Nikolich, M B; Taylor, G P; Charles, M J; Grenier, G J; Mallik, U; Cochran, J; Crawley, H B; Lamsa, J; Meyer, W T; Prell, S; Rosenberg, E I; Yi, J; Davier, M; Grosdidier, G; Höcker, A; Laplace, S; Le Diberder, F R; Lepeltier, V; Lutz, A M; Petersen, T C; Plaszczynski, S; Schune, M H; Tantot, L; Wormser, G; Cheng, C H; Lange, D J; Simani, M C; Wright, D M; Bevan, A J; Chavez, C A; Coleman, J P; Forster, I J; Fry, J R; Gabathuler, Erwin; Gamet, R; Parry, R J; Payne, D J; Sloane, R J; Touramanis, C; Back, J J; Harrison, P F; Mohanty, G B; Cowan, G; Flack, R L; Flächer, H U; Green, M G; Jackson, P S; McMahon, T R; Ricciardi, S; Salvatore, F; Winter, M A; Brown, D; Davis, C L; Allison, J; Barlow, N R; Barlow, R J; Hodgkinson, M C; Lafferty, G D; Lyon, A J; Williams, J C; Farbin, A; Hulsbergen, W D; Jawahery, A; Kovalskyi, D; Lae, C K; Lillard, V; Roberts, D A; Blaylock, G; Dallapiccola, C; Flood, K T; Hertzbach, S S; Kofler, R; Koptchev, V B; Moore, T B; Saremi, S; Stängle, H; Willocq, S; Cowan, R; Sciolla, G; Taylor, F; Yamamoto, R K; Mangeol, D J J; Patel, P M; Robertson, S H; Lazzaro, A; Palombo, F; Bauer, J M; Cremaldi, L M; Eschenburg, V; Godang, R; Kroeger, R; Reidy, J; Sanders, D A; Summers, D J; Zhao, H W; Brunet, S; Côté, D; Taras, P; Nicholson, H; Fabozzi, F; Lista, L; Monorchio, D; Paolucci, P; Piccolo, D; Sciacca, C; Baak, M; Bulten, H; Raven, G; Snoek, H L; Wilden, L; Jessop, C P; LoSecco, J M; Gabriel, T A; Allmendinger, T; Brau, B; Gan, K K; Honscheid, K; Hufnagel, D; Kagan, H; Kass, R; Pulliam, T; Rahimi, A M; Ter-Antonian, R; Wong, Q K; Brau, J E; Frey, R; Igonkina, O; Potter, C T; Sinev, N B; Strom, D; Torrence, E; Colecchia, F; Dorigo, A; Galeazzi, F; Margoni, M; Morandin, M; Posocco, M; Rotondo, M; Simonetto, F; Stroili, R; Tiozzo, G; Voci, C; Benayoun, M; Briand, H; Chauveau, J; David, P; La Vaissière, C de; Del Buono, L; Hamon, O; John, M J J; Leruste, P; Malcles, J; Ocariz, J; Pivk, M; Roos, L; T'Jampens, S; Therin, G; Manfredi, P F; Re, V; Behera, P K; Gladney, L; Guo, Q H; Panetta, J; Anulli, F; Biasini, M; Peruzzi, I M; Pioppi, M; Angelini, C; Batignani, G; Bettarini, S; Bondioli, M; Bucci, F; Calderini, G; Carpinelli, M; Forti, F; Giorgi, M A; Lusiani, A; Marchiori, G; Martínez-Vidal, F; Neri, N; Paoloni, E; Rama, M; Rizzo, G; Sandrelli, F; Walsh, J; Haire, M; Judd, D; Paick, K; Wagoner, D E; Danielson, N; Elmer, P; Lau, Y P; Lü, C; Miftakov, V; Olsen, J; Smith, A J S; Telnov, A V; Bellini, F; Cavoto, G; Faccini, R; Ferrarotto, F; Ferroni, F; Gaspero, M; Li Gioi, L; Mazzoni, M A; Morganti, S; Pierini, M; Piredda, G; Safai-Tehrani, F; Voena, C; Christ, S; Wagner, G; Waldi, R; Adye, T; De Groot, N; Franek, B J; Geddes, N I; Gopal, G P; Olaiya, E O; Aleksan, Roy; Emery, S; Gaidot, A; Ganzhur, S F; Giraud, P F; Hamel de Monchenault, G; Kozanecki, Witold; Langer, M; Legendre, M; London, G W; Mayer, B; Schott, G; Vasseur, G; Yéche, C; Zito, M; Purohit, M V; Weidemann, A W; Wilson, J R; Yumiceva, F X; Aston, D; Bartoldus, R; Berger, N; Boyarski, A M; Buchmüller, O L; Claus, R; Convery, M R; Cristinziani, M; De Nardo, Gallieno; Dong, D; Dorfan, J; Dujmic, D; Dunwoodie, W M; Elsen, E E; Fan, S; Field, R C; Glanzman, T; Gowdy, S J; Hadig, T; Halyo, V; Hast, C; Hrynóva, T; Innes, W R; Kelsey, M H; Kim, P; Kocian, M L; Leith, D W G S; Libby, J; Luitz, S; Lüth, V; Lynch, H L; Marsiske, H; Messner, R; Müller, D R; O'Grady, C P; Ozcan, V E; Perazzo, A; Perl, M; Petrak, S; Ratcliff, B N; Roodman, A; Salnikov, A A; Schindler, R H; Schwiening, J; Simi, G; Snyder, A; Soha, A; Stelzer, J; Su, D; Sullivan, M K; Vavra, J; Wagner, S R; Weaver, M; Weinstein, A J R; Wisniewski, W J; Wittgen, M; Wright, D H; Yarritu, A K; Young, C C; Burchat, Patricia R; Edwards, A J; Meyer, T I; Petersen, B A; Roat, C; Ahmed, S; Alam, M S; Ernst, J A; Saeed, M A; Saleem, M; Wappler, F R; Bugg, W; Krishnamurthy, M; Spanier, S M; Eckmann, R; Kim, H; Ritchie, J L; Satpathy, A; Schwitters, R F; Izen, J M; Kitayama, I; Lou, X C; Ye, S; Bianchi, F; Bóna, M; Gallo, F; Gamba, D; Borean, C; Bosisio, L; Cartaro, C; Cossutti, F; Della Ricca, G; Dittongo, S; Grancagnolo, S; Lanceri, L; Poropat, P; Vuagnin, G; Panvini, R S; Banerjee, Sw; Brown, C M; Fortin, D; Jackson, P D; Kowalewski, R V; Roney, J M; Sobie, R J; Band, H R; Dasu, S; Datta, M; Eichenbaum, A M; Graham, M; Hollar, J J; Johnson, J R; Kutter, P E; Li, H; Liu, R; Mihályi, A; Mohapatra, A K; Pan, Y; Prepost, R; Rubin, A E; Sekula, S J; Tan, P; Von Wimmersperg-Töller, J H; Wu, J; Wu, S L; Yu, Z; Greene, M G; Neal, H

    2004-01-01

    We study the decays B- --> D*0 pi- and B- --> D*0 K-, where the D*0 decays into D0 pi0, with the D0 reconstructed in the CP-even (CP+) eigenstates K- K+ and pi- pi+ and in the (non-CP) channels K- pi+, K- pi+ pi+ pi-, and K- pi+ pi0. Using a sample of about 123 million BBbar pairs, we measure the ratios of decay rates R*(non-CP)=BR(B- --> D*0(non-CP) K-)/BR(B- --> D*0(non-CP) pi-) = 0.0813+-0.0040(stat)+0.0042-0.0031}(syst), and provide the first measurements of R*(CP+)= BR(B- --> D*0(CP+) K-)/BR(B- --> D*0(CP+) pi-) = 0.086+-0.021(stat)+-0. 007(syst), and of the CP asymmetry A*(CP+) = (BR(B- --> D*0(CP+) K-) - BR(B+ --> D*0(CP+) K+))/(BR(B- --> D*0(CP+) K-) + BR(B+ --> D*0(CP+) K+)) = -0.10+-0.23(stat)+0.03-0.04(syst).

  17. New results for the formation of a muoniated radical in the Mu + Br2 system: a van der Waals complex or evidence for vibrational bonding in Br-Mu-Br?

    Science.gov (United States)

    Fleming, Donald G; Cottrell, Stephen P; McKenzie, Iain; Macrae, Roderick M

    2012-08-21

    New evidence is presented for the observation of a muoniated radical in the Mu + Br(2) system, from μSR longitudinal field (LF) repolarisation studies in the gas phase, at Br(2) concentrations of 0.1 bar in a Br(2)/N(2) mixture at 300 K and at 10 bar total pressure. The LF repolarisation curve, up to a field of 4.5 kG, reveals two paramagnetic components, one for the Mu atom, formed promptly during the slowing-down process of the positive muon, with a known Mu hyperfine coupling constant (hfcc) of 4463 MHz, and one for a muoniated radical formed by fast Mu addition. From model fits to the Br(2)/N(2) data, the radical component is found to have an unusually high muon hfcc, assessed to be ∼3300 MHz with an overall error due to systematics expected to exceed 10%. This high muon hfcc is taken as evidence for the observation of either the Br-Mu-Br radical, and hence of vibrational bonding in this H[combining low line]-L[combining low line]-H[combining low line] system, or of a MuBr(2) van der Waals complex formed in the entrance channel. Preliminary ab initio electronic structure calculations suggest the latter is more likely but fully rigorous calculations of the effect of dynamics on the hfcc for either system have yet to be carried out.

  18. Large BR( h → τ μ) in the MSSM?

    Science.gov (United States)

    Aloni, Daniel; Nir, Yosef; Stamou, Emmanuel

    2016-04-01

    We study how large the rate of the lepton-flavor violating Higgs decay h → τ μ can be in the (R-parity conserving) MSSM. We make no assumptions, such as universality or alignment, about the flavor structure of the MSSM. We only assume that all couplings and, in particular, the trilinear scalar ones, are perturbative. We take into account lower bounds on the bino and slepton masses from τ → μγ and h → γγ as well as upper bounds on the trilinear scalar couplings from the requirement that the global minimum is not charge breaking. We find that in highly fine-tuned regions of parameter space, the ratio BR( h → τ μ) /BR( h → τ τ ) can be enhanced by about three orders of magnitude above the estimate from naive dimensional analysis, but still about two orders of magnitude below the present bound. Thus, if h → τ μ is experimentally established to be close to present bounds, the MSSM will be excluded.

  19. Evidence for shape coexistence in sup 7 sup 7 Br

    CERN Document Server

    Ray, I; Bhattacharya, S; Goswami, A; Muralithar, S; Singh, R P; Bhowmik, R K

    2001-01-01

    The nucleus sup 7 sup 7 Br has been studied in the reaction sup 6 sup 5 Cu( sup 1 sup 6 O, 2p2n) at E=75 MeV. Lifetimes have been measured for several states using the Doppler-shift attenuation technique. The B(E2) values for the inband transitions, deduced from the lifetime results, reflect strong collectivity for both the positive-parity yrast band (band 1) and the ground-state negative-parity band (band 2). States with spin above 17/2 sup + in band 1 are found to have a large average quadrupole deformation of beta sub 2 =0.35. The experimental results for band 2 suggest that the 25/2 sup - and 29/2 sup - states are somewhat more strongly deformed than the lower-spin states. A comparison of the experimental results with particle-rotor-model calculations provides evidence for shape coexistence in sup 7 sup 7 Br, favouring a prolate shape for the g sub 9 sub / sub 2 yrast band and an oblate shape for the lowest negative-parity band.

  20. Equilibrium reconstruction in the TCA/Br tokamak

    International Nuclear Information System (INIS)

    The accurate and rapid determination of the Magnetohydrodynamic (MHD) equilibrium configuration in tokamaks is a subject for the magnetic confinement of the plasma. With the knowledge of characteristic plasma MHD equilibrium parameters it is possible to control the plasma position during its formation using feed-back techniques. It is also necessary an on-line analysis between successive discharges to program external parameters for the subsequent discharges. In this work it is investigated the MHD equilibrium configuration reconstruction of the TCA/BR tokamak from external magnetic measurements, using a method that is able to fast determine the main parameters of discharge. The thesis has two parts. Firstly it is presented the development of an equilibrium code that solves de Grad-Shafranov equation for the TCA/BR tokamak geometry. Secondly it is presented the MHD equilibrium reconstruction process from external magnetic field and flux measurements using the Function Parametrization FP method. this method. This method is based on the statistical analysis of a database of simulated equilibrium configurations, with the goal of obtaining a simple relationship between the parameters that characterize the equilibrium and the measurements. The results from FP are compared with conventional methods. (author)

  1. 76 FR 34014 - Airworthiness Directives; Bombardier, Inc. Model CL-215-1A10, CL-215-6B11 (CL-215T Variant), and...

    Science.gov (United States)

    2011-06-10

    ... Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic impact, positive or.... Model CL-215-1A10, CL- 215-6B11 (CL-215T Variant), and CL-215-6B11 (CL-415 Variant) Airplanes AGENCY.... Model CL-215-1A10 airplanes, serial numbers 1051 through 1125 inclusive; Model CL-215- 6B11...

  2. A thermodynamic description of the KBr–EuBr{sub 2} system

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Weiping, E-mail: gwp@hzu.edu.cn [Laboratory of Electronic Functional Materials, Huizhou University, Huizhou 516001, Guangdong (China); Gaune-Escard, Marcelle [Ecole Polytechnique, Mecanique Energetique, Technopole De Chateau-Gombert, 5 Rue Enrico Fermi, 13453 Marseille Cedex 13 (France)

    2014-01-25

    Highlights: • CALPHAD method was used to derive thermodynamic parameters of the system. • Heat capacities of K{sub 2}EuBr{sub 4} and KEu{sub 2}Br{sub 5} were fitted to literature data. • Phase diagram of KBr–EuBr{sub 2} was calculated. • More investigations were necessary to check the stability of the compounds. -- Abstract: Critical thermodynamic description on KBr–EuBr{sub 2} system was carried out by CALPHAD method. The thermodynamic parameters of the pure KBr and EuBr{sub 2} compounds were taken from the SGTE recommended database and the authors’ previous assessment, respectively. A two-sublattice ionic solution model for the liquid, denoted as (K{sup +}){sub P}:(Br{sup −}, EuBr{sub 4}{sup -2}, EuBr{sub 2}){sub Q}, was employed to represent phase diagram and enthalpy of mixing data. To reach a self-consistent thermodynamic description for the constituent phases in the system, the experimental heat capacity data of the intermediate compounds K{sub 2}EuBr{sub 4} and KEu{sub 2}Br{sub 5} were evaluated.

  3. Heterogeneous computing with OpenCL

    CERN Document Server

    2013-01-01

    Heterogeneous Computing with OpenCL teaches OpenCL and parallel programming for complex systems that may include a variety of device architectures: multi-core CPUs, GPUs, and fully-integrated Accelerated Processing Units (APUs) such as AMD Fusion technology. Designed to work on multiple platforms and with wide industry support, OpenCL will help you more effectively program for a heterogeneous future. Written by leaders in the parallel computing and OpenCL communities, this book will give you hands-on OpenCL experience to address a range of fundamental parallel algorithms. The authors explore memory spaces, optimization techniques, graphics interoperability, extensions, and debugging and profiling. Intended to support a parallel programming course, Heterogeneous Computing with OpenCL includes detailed examples throughout, plus additional online exercises and other supporting materials.

  4. On the ClC halogen bond: a rotational study of CF3Cl-CO.

    Science.gov (United States)

    Caminati, Walther; Evangelisti, Luca; Feng, Gang; Giuliano, Barbara M; Gou, Qian; Melandri, Sonia; Grabow, Jens-Uwe

    2016-07-21

    The rotational spectra of two isotopologues (CF3(35)Cl-CO and CF3(37)Cl-CO) of the CF3Cl-CO adduct have been investigated and analyzed using supersonic-jet Fourier transform microwave spectroscopy, and found to have the features of a symmetric top. Rotational, centrifugal distortion, and nuclear quadrupole ((35)Cl and (37)Cl) coupling constants have been precisely obtained from high-resolution measurements. The two subunits of the complex are held together via a ClC halogen bond interaction. Information on the internal dynamics and the dissociation energy of the complex is provided. PMID:27049637

  5. Calcium is not involved in the cAMP-mediated stimulation of Cl- conductance in the apical membrane of Necturus gallbladder epithelium.

    Science.gov (United States)

    Kottra, G

    1995-03-01

    The permeability properties of the forskolin-stimulated Cl- conductance in the apical membrane of Necturus gallbladder epithelium and the possible participation of intracellular Ca2+ in its stimulation have been investigated. The anion selectivity sequence as derived from biionic potential measurements (SCN- > I- approximately NO3- > Br- > Cl- > ISE-) differed from the sequence derived from measurements of apical membrane resistance (NO3- approximately Br- approximately Cl- > SCN- > I- approximately ISE-). Accordingly, the conductance was inhibited by SCN- and I- which, from the potential measurements, appeared to be more permeable than Cl-. This finding agrees with observations of the cystic fibrosis transmembrane conductance regulator (CFTR) Cl- channel reported recently. However, none of the commonly used Cl- channel blockers, such as 5-nitro-2-(3-phenylpropylamino)-benzoic acid (NPPB), 4,4'-diisothiocyanatostilbene-2,2'-disulphonic acid (DIDS), anthracene-9-carboxylic acid (9-AC) and glibenclamide reduced this conductance in Necturus gallbladder. In contrast to the situation in most other epithelia, elevation of intracellular Ca2+ concentration ([Ca2+]i) by ionomycin stimulated only K+ conductance and not that of Cl- in the apical cell membrane. Chelation of intracellular Ca2+ did not prevent the stimulation of Cl- conductance by forskolin. This indicates that [Ca2+]i does not have even a permissive role in the cyclic adenosine monophosphate-(cAMP)-mediated stimulation process, as would have been expected if exocytosis was involved. Further evidence against the involvement of exocytosis in the stimulation process came from the observation that the stimulation was not associated with an increase in apical membrane capacitance and was not suppressed by disruption of the cytoskeleton by preincubation of the tissue with cytochalasin D. The data indicate that Necturus gallbladder epithelium contains homologues of the CFTR Cl- channel which reside permanently in the

  6. Pan-Balti bränding - müüt või tegelikkus? / Joel Volkov

    Index Scriptorium Estoniae

    Volkov, Joel, 1972-

    2006-01-01

    Brändil pole kodumaad, on keel ja päritolumaa. Lokaalsed brändid valivad suhtlemiseks kohalikega nende kodukeele, globaalsed brändid harilikult inglise keele. Üks suuremaid ja tugevamaid lokaalsest süsteemist kasvanud Pan-Balti brände on Hansapank. Lisa: Sulev Vedler. Hansast võib saada Swedbank

  7. Total Absorption Gamma-Ray Spectroscopy of 87Br, 88Br and 94Rb Beta-Delayed Neutron Emitters

    CERN Document Server

    Valencia, E; Algora, A; Agramunt, J; Rubio, B; Rice, S; Gelletly, W; Regan, P; Zakari-Issoufou, A -A; Fallot, M; Porta, A; Rissanen, J; Eronen, T; Aysto, J; Batist, L; Bowry, M; Bui, V M; Caballero-Folch, R; Cano-Ott, D; Elomaa, V -V; Estevez, E; Farrelly, G F; Garcia, A R; Gomez-Hornillos, B; Gorlychev, V; Hakala, J; Jordan, M D; Jokinen, A; Kolhinen, V S; Kondev, F G; Martinez, T; Mendoza, E; Moore, I; Penttila, H; Podolyak, Zs; Reponen, M; Sonnenschein, V; Sonzogni, A A

    2016-01-01

    We investigate the decay of 87Br, 88Br and 94Rb using total absorption gamma-ray spectroscopy. These important fission products are beta-delayed neutron emitters. Our data show considerable gamma-intensity, so far unobserved in high-resolution gamma-ray spectroscopy, from states at high excitation energy. We also find significant differences with the beta intensity that can be deduced from existing measurements of the beta spectrum. We evaluate the impact of the present data on reactor decay heat using summation calculations. Although the effect is relatively small it helps to reduce the discrepancy between calculations and integral measurements of the photon component for 235U fission at cooling times in the range 1 to 100 s. We also use summation calculations to evaluate the impact of present data on reactor antineutrino spectra. We find a significant effect at antineutrino energies in the range of 5 to 9 MeV. In addition, we observe an unexpected strong probability for gamma emission from neutron unbound s...

  8. Características clínicas, bioquímicas y epidemiológicas de un grupo de pacientes con diagnóstico imaginológico de hígado graso

    Directory of Open Access Journals (Sweden)

    Juan Carlos Restrepo

    2001-04-01

    Full Text Available En nuestro medio, la esteatosis o infiltración hepática grasa se<br />convierte casi siempre en un hallazgo imaginológico incidental, al cual<br />se la da muy poca importancia desde el punto de vista clínico, y por<br />ende no se realizan estudios posteriores para determinar su causa, las condiciones asociadas que lo expliquen (1, y mucho menos se realiza biopsia hepática para determinar, cuáles de estos pacientes tienen esteatohepatitis, algún grado de fibrosis o incluso cirrosis. Este trabajo tuvo como objetivo describir las características epidemiológicas, clínicas y bioquímicas de un grupo de pacientes con diagnóstico imaginológico de hígado graso.

  9. Effects of NaCl and NH4Cl on the initial atmospheric corrosion of zinc

    International Nuclear Information System (INIS)

    Effects of NaCl and NH4Cl on the initial atmospheric corrosion of zinc were investigated via quartz crystal microbalance (QCM) in laboratory at 80% RH and 25 deg C. The results show that both NaCl and NH4Cl can accelerate the initial atmospheric corrosion of zinc. The combined effect of NaCl and NH4Cl on the corrosion of zinc is greater than that caused by NH4Cl and less than that caused by NaCl. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy and electron dispersion X-ray analysis (SEM/EDAX) were used to characterize the corrosion products of zinc. (NH4)2ZnCl4, Zn5(OH)8Cl2 . H2O and ZnO present on zinc surface in the presence of NH4Cl while Zn5(OH)8Cl2 . H2O and ZnO are the dominant corrosion products on NaCl-treated zinc surface. Probable mechanisms are presented to explain the experimental results

  10. Inhibition effects of PMA/SbBr3 complex inhibitor on copper and copper-nickel alloy in LiBr solutions

    Institute of Scientific and Technical Information of China (English)

    HU Xian-qi; LIANG Cheng-hao; HUANG Nai-bao

    2005-01-01

    The effects of PMA/SbBr3 inhibitor on copper and copper-nickel alloy in 55%LiBr solution were investigated by chemical immersion and electrochemical measurements. The results indicate that in boiling 55% LiBr solution containing PMA/SbBr3 inhibitor, corrosion rates of copper and copper-nickel alloy are 67.48 μm/a and 38. 14μm/a, respectively. Since both anodic and cathodic electrochemical reactions can be inhibited, PMA/SbBr3 belongs to complex inhibitor. PMA has the effect of inhibiting hydrogen evolution and [PMo12 O40]3- , the anion of PMA,has a strong oxidizing effect. Sb3+ also shows an oxidizing effect. It may exist in LiBr solutions stably with PMA.Because of the synergistic effect of PMA and Sb3+ , a protective film, comprising CuO, Cu2O and Sb, formed on copper and copper-nickel alloy surface may prevent Br- from diffusing to the surface of metals. As a result, the anticorrosion performance of copper and copper-nickel alloy may be improved.

  11. 76 FR 66620 - Airworthiness Directives; Bombardier, Inc. Model CL-215-1A10, CL-215-6B11 (CL-215T Variant), and...

    Science.gov (United States)

    2011-10-27

    ... Procedures (44 FR 11034, February 26, 1979); and 3. Will not have a significant economic impact, positive or.... Model CL-215-1A10, CL- 215-6B11 (CL-215T Variant), and CL-215-6B11 (CL-415 Variant) Airplanes AGENCY... comments. SUMMARY: We are adopting a new airworthiness directive (AD) for certain Bombardier, Inc. Model...

  12. Babcock and Wilcox BR-100 100-ton rail/barge spent fuel shipping cask

    Energy Technology Data Exchange (ETDEWEB)

    None

    1990-02-01

    This Preliminary Design Report (PDR) provides a detailed description of the design, analyses, and testing programs for the BR-100 cask. The BR-100 is a Type B(U) cask designed for transport by rail or barge. This report presents the preliminary analyses and tests which have been performed for the BR-100 and outlines the confirmatory analyses and tests which will be performed.

  13. Babcock and Wilcox BR-100 100-ton rail/barge spent fuel shipping cask

    International Nuclear Information System (INIS)

    This Preliminary Design Report (PDR) provides a detailed description of the design, analyses, and testing programs for the BR-100 cask. The BR-100 is a Type B(U) cask designed for transport by rail or barge. This report presents the preliminary analyses and tests which have been performed for the BR-100 and outlines the confirmatory analyses and tests which will be performed

  14. Evidence for concerted ring opening and C-Br bond breaking in UV-excited bromocyclopropane.

    Science.gov (United States)

    Pandit, Shubhrangshu; Preston, Thomas J; King, Simon J; Vallance, Claire; Orr-Ewing, Andrew J

    2016-06-28

    Photodissociation of gaseous bromocyclopropane via its A-band continuum has been studied at excitation wavelengths ranging from 230 nm to 267 nm. Velocity-map images of ground-state bromine atoms (Br), spin-orbit excited bromine atoms (Br(∗)), and C3H5 hydrocarbon radicals reveal the kinetic energies of these various photofragments. Both Br and Br(∗) atoms are predominantly generated via repulsive excited electronic states in a prompt photodissociation process in which the hydrocarbon co-fragment is a cyclopropyl radical. However, the images obtained at the mass of the hydrocarbon radical fragment identify a channel with total kinetic energy greater than that deduced from the Br and Br(∗) images, and with a kinetic energy distribution that exceeds the energetic limit for Br + cyclopropyl radical products. The velocity-map images of these C3H5 fragments have lower angular anisotropies than measured for Br and Br(∗), indicating molecular restructuring during dissociation. The high kinetic energy C3H5 signals are assigned to allyl radicals generated by a minor photochemical pathway which involves concerted C-Br bond dissociation and cyclopropyl ring-opening following single ultraviolet (UV)-photon absorption. Slow photofragments also contribute to the velocity map images obtained at the C3H5 radical mass, but the corresponding slow Br atoms are not observed. These features in the images are attributed to C3H5 (+) from the photodissociation of the C3H5Br(+) molecular cation following two-photon ionization of the parent compound. This assignment is confirmed by 118-nm vacuum ultraviolet ionization studies that prepare the molecular cation in its ground electronic state prior to UV photodissociation. PMID:27369520

  15. 2014, l’année brésilienne

    OpenAIRE

    Dabène,Olivier

    2014-01-01

    Dilma Rousseff pourrait être élue personnalité de l’année 2014 en Amérique latine. La présidente du Brésil a réussi à organiser une Coupe du monde de football exemplaire, apportant un démenti cinglant aux oiseaux de mauvais augure qui ont accaparé les médias pendant des mois. Très impopulaire en début d’année, empêtrée dans un scandale de corruption et handicapée par une récession économique, elle est ensuite parvenue à offrir au Parti des travailleurs (PT) une quatrième victoire ...

  16. Radiation-induced pulsed conductivity of CsBr crystals

    CERN Document Server

    Aduev, B P; Shvajko, V N

    2001-01-01

    The radiation-induced conductivity of the CsBr crystals by excitation through the picosecond electron beams (0.2 MeV, 50 ps, 0.1-10 kA/cm sup 2) are studied. The time resolution of the measurement methodology is approx 150 ps. It is shown that the service life of the conductivity zone electrons is limited by the biomolecular recombination with auto localized holes (V sub k -centers). The inertia of the conductivity current pulse growth is determined. The model, according to which the Auger recombination of the valence zone electrons and the upper skeleton zone holes significantly contributes to the conductivity zone electrons generation, is used for explaining this effect

  17. Collisional trap losses of cold, magnetically-trapped Br atoms

    CERN Document Server

    Lam, J; Softley, T P

    2014-01-01

    Near-threshold photodissociation of Br$_2$ from a supersonic beam produces slow bromine atoms that are trapped in the magnetic field minimum formed between two opposing permanent magnets. Here, we quantify the dominant trap loss rate due to collisions with two sources of residual gas: the background limited by the vacuum chamber base pressure, and the carrier gas during the supersonic gas pulse. The loss rate due to collisions with residual Ar in the background follows pseudo first-order kinetics, and the bimolecular rate coefficient for collisional loss from the trap is determined by measurement of this rate as a function of the background Ar pressure. This rate coefficient is smaller than the total elastic collision rate coefficient, as it only samples those collisions that lead to trap loss, and is determined to be $\\langle\

  18. ISO Observations of the dusty quasar BR1202-0725

    CERN Document Server

    Leech, K J; Metcalfe, L

    2001-01-01

    We present mid- and far-IR photometry of the high-redshift (z=4.69) dusty quasar BR1202-0725. The quasar was detected in the near-IR, at a flux level (0.7+/-0.2 mJy) consistent with an average Radio-Quiet Quasar at it's redshift. Only upper limits for the emission were obtained in the far-IR. These upper limits, when combined with data from ground-based telescopes, are the first direct evidence for a turn-over in the far-IR emission and hence confirm that a black-body dominates the SED at FIR wavelengths. This black-body is most probably cool dust, constrained to have a temperature below 80K, for a beta of 1.5.

  19. Estimering af brændstofforbrug vha. GPS Data

    DEFF Research Database (Denmark)

    Andersen, Ove; Lahrmann, Harry; Torp, Kristian

    2010-01-01

    Det er simpelt og billigt at opsamle GPS målinger fra køretøjer. Når større mængder GPS data indsamles fra et passende antal køretøjer kan dataen bruges til at beregne f.eks. køretider. Det er ligeledes muligt ud fra GPS data at estimere miljøindikatorer så som, hvor aggressivt kører bilister og er...... der nogle vejstrækninger, der har en højere (negativ) miljø påvirkning end andre? I denne artikel præsenterer et forsøg, hvor GPS data anvendes til at estimere brændstofforbruget ved en enkelt tur og for vejnettet generelt. Dette gøres ved at opbygge en database med GPS data. Ud fra disse data gives...

  20. Structure model and synthesis of NdCl3-FeCl3-graphite intercalation compounds

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The distribution of the elements and microstructure of NdCl3-FeCl3-graphite intercalation compounds (GICs) were shown by scanning electron microscope (SEM) and energy dispersive spectroscopy (EDS). The results show that Nd element intercalates into graphite, forming NdCl3-FeCl3-GICs, and the distribution of Nd and Fe is nearly even. On the basis of the data, a structure model for RECl3-GICs was founded, and the characteristic layer distance and the index of interval energy were calculated. The calculated results agree with experimental ones, and the relative errors are ±2%. Thus it can be seen that the (111) face is optimal direction for intercalation reaction of TbCl3 LuCl3, and the (001) face is that for LaCl3 GdCl3, because of the lowest interval energy.

  1. Variation in the flowering time orthologs BrFLC and BrSOC1 in a natural population of Brassica rapa.

    Science.gov (United States)

    Franks, Steven J; Perez-Sweeney, Beatriz; Strahl, Maya; Nowogrodzki, Anna; Weber, Jennifer J; Lalchan, Rebecca; Jordan, Kevin P; Litt, Amy

    2015-01-01

    Understanding the genetic basis of natural phenotypic variation is of great importance, particularly since selection can act on this variation to cause evolution. We examined expression and allelic variation in candidate flowering time loci in Brassica rapa plants derived from a natural population and showing a broad range in the timing of first flowering. The loci of interest were orthologs of the Arabidopsis genes FLC and SOC1 (BrFLC and BrSOC1, respectively), which in Arabidopsis play a central role in the flowering time regulatory network, with FLC repressing and SOC1 promoting flowering. In B. rapa, there are four copies of FLC and three of SOC1. Plants were grown in controlled conditions in the lab. Comparisons were made between plants that flowered the earliest and latest, with the difference in average flowering time between these groups ∼30 days. As expected, we found that total expression of BrSOC1 paralogs was significantly greater in early than in late flowering plants. Paralog-specific primers showed that expression was greater in early flowering plants in the BrSOC1 paralogs Br004928, Br00393 and Br009324, although the difference was not significant in Br009324. Thus expression of at least 2 of the 3 BrSOC1 orthologs is consistent with their predicted role in flowering time in this natural population. Sequences of the promoter regions of the BrSOC1 orthologs were variable, but there was no association between allelic variation at these loci and flowering time variation. For the BrFLC orthologs, expression varied over time, but did not differ between the early and late flowering plants. The coding regions, promoter regions and introns of these genes were generally invariant. Thus the BrFLC orthologs do not appear to influence flowering time in this population. Overall, the results suggest that even for a trait like flowering time that is controlled by a very well described genetic regulatory network, understanding the underlying genetic basis of

  2. Research on immune effect of two gene vaccines containing brZPC' and brLDHC4' when in combined inoculation

    Institute of Scientific and Technical Information of China (English)

    Xu Li; Peng Jing-pian

    2012-01-01

    ZPC and LDHC4 play a key role in the process of recognition between sperm and egg or sperm movement,respectively.In this study,partial cDNA sequences of ZPC and LDH-C4 of Microtus branditi (brZPC' and brLDHC4',respectively) were cloned by RT PCR,and directly inserted into pCR3.1 vector to construct two gene vaccines (pCR3.1-brZPC' and pCR3.1-brLDHC4').pCR3.1-brZPC' and pCR3.1-brLDHC4' could express corresponding proteins in transiently transfected CHO cells.The adult female BALB/c mice were inoculated with the recombinant vaccine alone on in combination.The immunized mouse can produce specific antibody that recognizes the corresponding recombinant protein expressed by BL21 in vitro.Moreover,antibodies produced by combinedly immunized mouse were specific and direct,with no inhibitory effect between two vaccines observed when in combined inoculation.The test of cytokines indicated that the expression of IFNγ in pCR3.1-brZPC'-and combinedly inoculated mouse increased obviously and the expression of IL2 in pCR3.1-brLDHC4 '-and combinedly inoculated mouse increased obviously,while the expression of IL4 in pCR3.1-brZPC',pCR3.1-brLDHC4'and combinedly inoculated group increased obviously.It was suggested that the combined inoculation with pCR3.1-brZPC' and pCR3.1-brLDHC4 ' could induce both humoral immune response and CTL response.In some sense,the combined inoculation may achieve a better contraceptive effect.The results also showed that,when used alone or in combination,these two recombinant vaccines did not do much harm to the follicular development of immunized mouse.So the combined inoculation with these two recombinant vaccines could be a better way to immunocontraception.This study may provide a theoretical basis for the following tests on antifertility in vivo.

  3. Solvent dependent branching between C-I and C-Br bond cleavage following 266 nm excitation of CH2BrI

    International Nuclear Information System (INIS)

    It is well known that ultraviolet photoexcitation of halomethanes results in halogen-carbon bond cleavage. Each halogen-carbon bond has a dominant ultraviolet (UV) absorption that promotes an electron from a nonbonding halogen orbital (nX) to a carbon-halogen antibonding orbital (σ*C-X). UV absorption into specific transitions in the gas phase results primarily in selective cleavage of the corresponding carbon-halogen bond. In the present work, broadband ultrafast UV-visible transient absorption studies of CH2BrI reveal a more complex photochemistry in solution. Transient absorption spectra are reported spanning the range from 275 nm to 750 nm and 300 fs to 3 ns following excitation of CH2BrI at 266 nm in acetonitrile, 2-butanol, and cyclohexane. Channels involving formation of CH2Br + I radical pairs, iso-CH2Br-I, and iso-CH2I-Br are identified. The solvent environment has a significant influence on the branching ratios, and on the formation and stability of iso-CH2Br-I. Both iso-CH2Br-I and iso-CH2I-Br are observed in cyclohexane with a ratio of ∼2.8:1. In acetonitrile this ratio is 7:1 or larger. The observation of formation of iso-CH2I-Br photoproduct as well as iso-CH2Br-I following 266 nm excitation is a novel result that suggests complexity in the dissociation mechanism. We also report a solvent and concentration dependent lifetime of iso-CH2Br-I. At low concentrations the lifetime is >4 ns in acetonitrile, 1.9 ns in 2-butanol and ∼1.4 ns in cyclohexane. These lifetimes decrease with higher initial concentrations of CH2BrI. The concentration dependence highlights the role that intermolecular interactions can play in the quenching of unstable isomers of dihalomethanes

  4. Kuluttaja-asiakkaiden mielikuva Concept.10-brändistä

    OpenAIRE

    Väisänen, Janna-Mari

    2011-01-01

    Tutkimuksen tavoitteena on selvittää, millainen käsitys Concept.10:n kuluttaja-asiakkailla on brändin eri osa-alueista ja millaisia mielleyhtymiä brändin mainonta, nimi, tunnus ja slogan herättävät. Näillä tekijöillä on vaikutusta kokonaismielikuvan syntymiseen brändistä. Tutkimusongelmana on, millainen mielikuva kuluttaja-asiakkailla on Concept.10-brändistä. Concept.10 toimii yhteisenä markkinointinimenä Mikkelin Puhelin Oyj:n omistamille yhtiöille ja niiden palveluille. Teoreettisessa v...

  5. Global observations of tropospheric BrO columns using GOME-2 satellite data

    Directory of Open Access Journals (Sweden)

    N. Theys

    2010-11-01

    Full Text Available Measurements from the GOME-2 satellite instrument have been analyzed for tropospheric BrO using a residual technique that combines measured BrO columns and estimates of the stratospheric BrO content from a climatological approach driven by O3 and NO2 observations. Comparisons between the GOME-2 results and BrO vertical columns derived from correlative ground-based and SCIAMACHY nadir observations, present a good level of consistency. We show that the adopted technique enables separation of stratospheric and tropospheric fractions of the measured total BrO columns and allows quantitative study of the BrO plumes in polar regions. While some satellite observed plumes of enhanced BrO can be explained by stratospheric descending air, we show that most BrO hotspots are of tropospheric origin, although they are often associated to regions with low tropopause heights as well. Elaborating on simulations using the $p$-TOMCAT tropospheric chemical transport model, this result is found to be consistent with the mechanism of bromine release through sea salt aerosols production during blowing snow events. Outside polar regions, evidence is provided for a global tropospheric BrO background with column of 1–3×1013 molec/cm2, consistent with previous estimates.

  6. Stratospheric BrO abundance measured by a balloon-borne submillimeterwave radiometer

    Directory of Open Access Journals (Sweden)

    R. A. Stachnik

    2012-11-01

    Full Text Available Measurements of mixing ratio profiles of stratospheric bromine monoxide (BrO were made using observations of BrO otational line emission at 650.179 GHz by a balloon-borne SIS (superconductor-insulator-superconductor submillimeterwave heterodyne receiver. The balloon was launched from Ft. Sumner, New Mexico (34°N on 22 September 2011. Peak mid-day BrO abundance varied from 16 ± 2 ppt at 34 km to 6 ± 4 ppt at 16 km. Corresponding estimates of total inorganic bromine (Bry, derived from BrO vmr (volume mixing ratio using a photochemical box model, were 21 ± 3 ppt and 11 ± 5 ppt, respectively. Inferred Bry abundance exceeds that attributable solely to decomposition of long-lived methyl bromide and other halons, and is consistent with a contribution from bromine-containing very short lived substances, BryVSLS, of 4 ppt to 8 ppt. These results for BrO and Bry were compared with, and found to be in good agreement with, those of other recent balloon-borne and satellite instruments.

  7. [Oxidation of mercury by CuBr2 decomposition under controlled-release membrane catalysis condition].

    Science.gov (United States)

    Hu, Lin-Gang; Qu, Zan; Yan, Nai-Qiang; Guo, Yong-Fu; Xie, Jiang-Kun; Jia, Jin-Ping

    2014-02-01

    CuBr2 in the multi-porous ceramic membrane can release Br2 at high temperature, which was employed as the oxidant for Hg0 oxidation. Hg0 oxidation efficiency was studied by a membrane catalysis device. Meanwhile, a reaction and in situ monitoring device was designed to avoid the impact of Br2 on the downstream pipe. The result showed that the MnO(x)/alpha-Al2O3 catalysis membrane had a considerable "controlled-release" effect on Br2 produced by CuBr2 decomposition. The adsorption and reaction of Hg0 and Br2 on the surface of catalysis membrane obeyed the Langmuir-Hinshelwood mechanism. The removal efficiency of Hg0 increased with the rising of Br2 concentration. However, when Br2 reached a certain concentration, the removal efficiency was limited by adsorption rate and reaction rate of Hg0 and Br2 on the catalysis membrane. From 473 K to 573 K, the variation of Hg0 oxidation efficiency was relatively stable. SO2 in flue gas inhibited the oxidation of Hg0 while NO displayed no obvious effect.

  8. Validation of Aura Microwave Limb Sounder BrO observations in the stratosphere

    OpenAIRE

    J. Kovalenko, L.; L. Livesey, N.; J. Salawitch, R.; Camy-Peyret, C.; P. Chipperfield, M.; E. Cofield, R.; Dorf, M.; J. Drouin, B.; L. Froidevaux; Fuller, R. A.; Goutail, Florence; F. Jarnot, R.; Jucks, K.; W. Knosp, B.; Lambert, A.

    2007-01-01

    Validation of stratospheric BrO vertical profiles obtained by the Microwave Limb Sounder (MLS) on the Aura satellite is discussed. MLS BrO measurements are compared with expectations of its latitudinal and seasonal dependence, as well as with more localized balloon-borne measurements of BrO. We describe the expected precision and systematic errors of the version 2.2 retrieval and show that scientific studies using MLS BrO vertical profiles require extensive averaging to increase the signal-to...

  9. Link between Enhanced Arctic tropospheric BrO observed by Aura OMI and meteorological conditions

    Science.gov (United States)

    Choi, S.; Joiner, J.; Theys, N.; Salawitch, R. J.; Wales, P.; Canty, T. P.; Chance, K.; Suleiman, R. M.; Palm, S. P.; Cullather, R. I.; Darmenov, A.; da Silva, A.; Kurosu, T. P.

    2015-12-01

    Bromine radicals (Br + BrO) are important species owing to the ability to destroy ozone catalytically. They may also impact oxidative pathways of many trace gases including dimethylsulfide (DMS) and mercury. Bromine monoxide (BrO) is the most commonly observed bromine radical species. Since it absorbs ultraviolet (UV) radiation, it can be observed using remote sensing technique including Differential Optical Absorption Spectroscopy (DOAS). Previous studies have reported rapid enhancements tropospheric BrO (so called "bromine explosion") connected to near-surface ozone depletion events during springtime in the Arctic. Space-based observation of BrO through Ozone Monitoring Instrument (OMI) is an excellent tool for studying bromine chemistry particularly for the Arctic due to its frequent observations at high latitudes. We derive tropospheric columns BrO by subtracting estimates of stratospheric column BrO from OMI total column BrO and air mass factor (AMF) correction, and analyze the tropospheric columns BrO in conjunction with Modern-Era Retrospective analysis for Research and Application (MERRA) meteorological fields provided by NASA Global Modeling and Assimilation Office (GMAO) in order to investigate a link between bromine explosion and near-surface meteorological factors.

  10. Observations of BrO and its vertical distribution during surface ozone depletion at Alert

    Energy Technology Data Exchange (ETDEWEB)

    Hoeinninger, G.; Platt, U. [Universitaet Heidelberg (Germany). Inst. fuer Umweltphysik

    2002-06-01

    During the ALERT2000 polar sunrise experiment at Alert, Nunavut, Canada, we performed measurements of boundary layer bromine oxide radicals (BrO) by differential optical absorption spectroscopy (DOAS) using scattered sunlight in the spectral range from 320 to 400 nm. For the first time the Multi-Axis-(MAX)-DOAS method was applied to derive vertical profile information of BrO. BrO was observed at slant column densities (SCD) of up to 10{sup 15} molecules/cm{sup 2} during a 10-day period of complete surface ozone depletion. The largest BrO column densities were found by observing scattered sunlight from 5{sup o} above the horizon, and SCDs were decreasing with increasing elevation angles of the light-receiving telescope. For zenith scattered light the lowest absorption was recorded. Radiative transfer modelling and the calculation of air mass factors show that in most cases the bulk of the observed BrO was present in a layer of 1{+-}0.5 km thickness above the surface (in the boundary layer). The inferred extent of the BrO layer agrees very well with the observed height of the ozone depletion layer (Bottenheim et al., Atmos. Environ., 2002) from ozone sonde data. Assuming that BrO layer is well-mixed, volume mixing ratios reached levels of 20-30 ppt BrO. These values are consistent with previous measurements of BrO during low ozone events in the Arctic boundary layer. (Author)

  11. CL møder sptogfagsdidaktikken

    DEFF Research Database (Denmark)

    Pedersen, Michael Svendsen

    2011-01-01

    I artiklen diskuteres den didaktiske kontekst for brugen af CL (Cooperative Learning) i sprogundervisningen. Indledningsvis stilles følgende spørgsmål: Hvor kommer de indholdsfrie CL-strukturer fra, og hvad sker der når man inddrager dem i sprogundervisningen? I besvarelsen af disse spørgsmål...

  12. Some Properties of CL-space and Almost CL-space%关于CL-空间和几乎CL-空间的一些性质

    Institute of Scientific and Technical Information of China (English)

    卢允照

    2006-01-01

    讨论具有"平坦性"凸性单位球结构的Banach空间的一些性质.首先根据CL-空间的定义证明了Banach空间l1是CL-空间.通过证明l31和l3∞具有非CL-子空间证明了维数大于2的CL空间不具继承性,即具有非CL-子空间,另外,总结了有限维CL-空间与其它一些Banach空间类的等价性.最后讨论了CL-空间和几乎CL-空间包含Banach空间c0与l1的一些性质以及实对偶空间成为几乎CL-空间的两个必要条件.

  13. Al/Cl2 molten salt battery

    Science.gov (United States)

    Giner, J.

    1972-01-01

    Molten salt battery has been developed with theoretical energy density of 5.2 j/kg (650 W-h/lb). Battery, which operates at 150 C, can be used in primary mode or as rechargeable battery. Battery has aluminum anode and chlorine cathode. Electrolyte is mixture of AlCl3, NaCl, and some alkali metal halide such as KCl.

  14. Atmospheric production rate of {sup 36}Cl

    Energy Technology Data Exchange (ETDEWEB)

    Parrat, Y.; Hajdas, W.; Baltensperger, U.; Synal, H.A.; Kubik, P.W.; Gaeggeler, H.W. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Suter, M. [Eidgenoessische Technische Hochschule, Zurich (Switzerland)

    1997-09-01

    Using experimental cross sections, a new calculation of the atmospheric production rate of {sup 36}Cl was carried out. A mean production rate of 20 atoms m{sup -2}s{sup -1} was obtained, which is lower than mean {sup 36}Cl deposition rates. (author) 2 figs., 7 refs.

  15. Cs3ScCl6

    Directory of Open Access Journals (Sweden)

    Matthew D. Ward

    2014-06-01

    Full Text Available Crystals of tricaesium scandium(III hexachloride were obtained as a side product from the reaction of U, SnCl2, Sc, and S in a CsCl flux at 1073 K. Cs3ScCl6 crystallizes in the Rb3YCl6 structure type. The asymmetric unit comprises three Cs sites, two Sc sites, and six Cl sites, all of which have site symmetry 1, except for the two Sc sites that have site symmetries of 2 and -1, respectively. The structure is composed of isolated [ScCl6]3− octahedra that are surrounded by Cs+ cations. Two Cs+ cations have interactions with eight Cl− anions, while the third has interactions with ten Cl− anions.

  16. Estudio clínico, citogenético y molecular en pacientes con el síndrome de Russell- Silver

    Directory of Open Access Journals (Sweden)

    Gabriel Bedoya Berrío

    2001-04-01

    Full Text Available El síndrome de Russel Silver (SRS fue descrito independientemente por Silver y colaboradores en 1953 (1 y por Russell en 1954 (2. Silver hizo énfasis en la asimetría esquelética como característica del trastorno. Russel observó que esta característica era variable en los pacientes que examinó. El diagnóstico clínico incluye un severo retraso en el crecimiento pre y postnatal, características dismórficas incluyendo cara triangular, frente amplia, mandíbula pequeña y comisuras<br />labiales hacia abajo (3,4.<br />Recientes descubrimientos de disomía uniparental materna<br />(DUPm del cromosoma 7 en el 10% de los pacientes con SRS,<br />sugieren la presencia de genes impronta en este cromosoma, cuya mutación es responsable del fenotipo de SRS (5.<br />Genes comprometidos: varios genes impronta (PEG1/MEST,<br />gamama2- COP, y GBR10 localizados en el cromosoma 7. En pacientes con SRS se han identificado duplicaciones en la región 7p13-p11.2 de origen materno que rodean el gen GBR10. Recientemente, pacientes SRS con DUP de la región 7q31-qter únicamente, han reforzado la evidencia que PG1/MEST o genes adyacentes son críticos.<br />Pruebas moleculares: solamente el 10% de los casos clínicos />presentan un mecanismo de alteración de la impronta (UDPm 7; este análisis de microsatélites requiere las muestras de los padres. Luego de que los genes críticos han sido mapeados, las deleciones y los puntos de mutación pueden identificarse en pacientes que no presentan DUP (6.<br />La incidencia de SRS no se conoce y puede estar subestimada.

  17. Ultraviolet Spectroscopy of the Massive LMC Multiple Systems Sk-6718 (Br+.1667em5 and HD+.1667em36402 (Br+.1667em31

    Directory of Open Access Journals (Sweden)

    G. Koenigsberger

    2003-01-01

    Full Text Available Reportamos los resultados de observaciones en el UV de dos sistemas binarios cercanos, ubicados en la Nube Mayor de Magallanes, Br 5 y Br 31. Detectamos variabilidad espectral en Br 31 producida por eclipses atmosféricos, así como variaciones en la velocidad radial de algunas de sus líneas, con el periodo de 3.033 días. El espectro UV de este sistema es consistente con la presencia de 3 estrellas calientes en el sistema. En contraste, no podemos confirmar la presencia de más de 2 estrellas calientes en el sistema Br 5, y la debilidad de Si IV 1400 contradice la presencia de una supergigante O-tardía o B-temprana. Detectamos variaciones de velocidad radial consistentes con el movimiento orbital de la componente O3 If*.

  18. Nutrient/serum starvation derived TRIP-Br3 down-regulation accelerates apoptosis by destabilizing XIAP

    Science.gov (United States)

    Lee, Soonduck; Jeong, Dongjun; Yang, Young; Kim, Keun-Il; Lim, Jong-Seok; Cheon, Chung-Il; Kim, Changjin; Kang, Young-Sook; Lee, Myeong-Sok

    2015-01-01

    TRIP-Br3 and TRIP-Br1 have shown to have important biological functions. However, the function of TRIP-Br3 in tumorigenesis is not well characterized compared to oncogenic TRIP-Br1. Here, we investigated the function of TRIP-Br3 in tumorigenesis by comparing with that of TRIP-Br1. Under nutrient/serum starvation, TRIP-Br3 expression was down-regulated slightly in cancer cells and significantly in normal cells. Unexpectedly, TRIP-Br1 expression was greatly up-regulated in cancer cells but not in normal cells. Moreover, TRIP-Br3 activated autophagy while TRIP-Br1 inactivated it under serum starvation. In spite of different expression and roles of TRIP-Br3 and TRIP-Br1, both of them alleviate cell death by directly binding to and stabilizing XIAP, a potent apoptosis inhibitor, through blocking its ubiquitination. Taken together, we propose that TRIP-Br3 primarily activates the autophagy and suppresses apoptosis in nutrient sufficient condition. However, the prolonged extreme stressful condition of nutrient starvation causes a dramatic decrease of TRIP-Br3, which in turn induces apoptosis by destabilizing XIAP. Up-regulated TRIP-Br1 in cancer cells compensates this effect and delays apoptosis. This can be explained by the competitive alternative binding of TRIP-Br3 and TRIP-Br1 to the BIR2 domain of XIAP. In an extended study, our immunohistochemical analysis revealed a markedly lower level of TRIP-Br3 protein in human carcinoma tissues compared to normal epithelial tissues, implying the role of TRIP-Br3 as a tumor suppressor rather than onco-protein. PMID:25691055

  19. Roles of external and cellular Cl- ions on the activation of an apical electrodiffusional Cl- pathway in toad skin.

    Science.gov (United States)

    Procopio, J; Lacaz-Vieira, F

    1990-07-01

    This study is concerned with the short-circuit current, Isc, responses of the Cl(-)-transporting cells of toad skin submitted to sudden changes of the external Cl- concentration, [Cl]o. Sudden changes of [Cl]o, carried out under apical membrane depolarization, allowed comparison of the roles of [Cl]o and [Cl]cell on the activation of the apical Cl- pathways. Equilibration of short-circuited skins symmetrically in K-Ringer's solutions of different Cl- concentrations permitted adjustment of [Cl]cell to different levels. For a given Cl- concentration (in the range of 11.7 to 117 mM) on both sides of a depolarized apical membrane, this structure exhibits a high Cl- permeability, P(Cl)apical. On the other hand, for the same range of [Cl]cell but with [Cl]o = 0, P(Cl)apical is reduced to negligible values. These observations indicate that when the apical membrane is depolarized P(Cl)apical is modulated by [Cl]o; in the absence of external Cl- ions, intracellular Cl- is not sufficient to activate P(Cl)apical. Computer simulation shows that the fast Cl- currents induced across the apical membrane by sudden shifts of [Cl]o from a control equilibrium value strictly follow the laws of electrodiffusion. For each experimental group, the computer-generated Isc versus [( Cl]cell - [Cl]o) curve which best fits the experimental data can only be obtained by a unique pair of P(Cl)apical and Rb (resistance of the basolateral membrane), thus allowing the calculation of these parameters. The electrodiffusional behavior of the net Cl- flux across the apical membrane supports the channel nature of the apical Cl- pathways in the Cl(-)-transporting cells. Cl- ions contribute significantly to the overall conductance of the basolateral membrane even in the presence of a high K concentration in the internal solution. PMID:1698229

  20. The magnetic susceptibility of graphite biintercalated with CoCl2 and GaCl3

    OpenAIRE

    Rosenman, I.; Batallan, F.; Simon, Ch.; Hachim, L.

    1986-01-01

    We present the first results of magnetic susceptibility on CoCl2-GaCl 3 biintercalated in graphite, and compare them with those obtained in second stage CoCl2-graphite. A fit by a power law above the maximum of the susceptibility present two regimes : in the high temperature one, the γ values are high and even higher in the CoCl2-GaCl 3 compound. This indicates that the three-dimensional coupling is lower in the biintercalation compound. In the low temperature regime, near the transition, the...

  1. A novel LiCl-BaCl2:Eu2+ eutectic scintillator for thermal neutron detection

    Science.gov (United States)

    Wu, Yuntao; Lukosi, Eric D.; Zhuravleva, Mariya; Lindsey, Adam C.; Melcher, Charles L.

    2015-10-01

    A natLiCl-BaCl2:Eu2+ eutectic scintillator was synthesized by the vertical Bridgman method aiming at the application of thermal neutron detection. The molar ratio of LiCl and BaCl2 was 75.1/24.9, which corresponds to the eutectic composition in the LiCl-BaCl2 system. The grown eutectic showed a periodic microstructure of BaCl2:Eu2+ and LiCl phases with 2-3 μm thickness. The α-particle induced radioluminescence spectrum of the scintillator showed an intense emission peak at 406 nm due to the Eu2+ 5d1→4f emission from the BaCl2:Eu2+ phase and an additional weak emission peak at 526 nm. The scintillation decay time was 412 ns. LiCl-BaCl2:Eu2+ eutectic samples exhibited non-correlated neutron detection efficiency and light yield as a function of crystal length, suggesting material non-uniformities within the boule. The relative light yield was equal to or greater than that of Nucsafe lithium glass. Gamma-ray exposures indicate that gamma/neutron threshold discrimination for higher energy gamma-rays will be limited.

  2. Unbound states of 32Cl and the 31S(p,\\gamma)32Cl reaction rate

    CERN Document Server

    Matoš, M; Linhardt, L E; Bardayan, D W; Nesaraja, C D; Clark, J A; Deibel, C M; O'Malley, P D; Parker, P D

    2011-01-01

    The 31S(p,\\gamma)32Cl reaction is expected to provide the dominant break-out path from the SiP cycle in novae and is important for understanding enrichments of sulfur observed in some nova ejecta. We studied the 32S(3He,t)32Cl charge-exchange reaction to determine properties of proton-unbound levels in 32Cl that have previously contributed significant uncertainties to the 31S(p,\\gamma)32Cl reaction rate. Measured triton magnetic rigidities were used to determine excitation energies in 32Cl. Proton-branching ratios were obtained by detecting decay protons from unbound 32Cl states in coincidence with tritons. An improved 31S(p,\\gamma)32Cl reaction rate was calculated including robust statistical and systematic uncertainties.

  3. Synthesis of alkylate over Brønsted-Lewis acidic ionic liquid mixtured with sulfuric acid%Brønsted-Lewis双酸型离子液体负载浓硫酸催化制备烷基化汽油

    Institute of Scientific and Technical Information of China (English)

    陈传刚; 刘仕伟; 于世涛

    2015-01-01

    The alkylation reaction of isobutane and isobutylene to form alkylate petrol was studied over Brønsted-Lewis acidic ionic liquids(ILs)mixtured with sulfuric acid. The results indicated that IL(3-sulfonic acid )-propyltriethylammonium chlorozincinate-[ HO3 S-( CH2 )3-NEt3 ]Cl-ZnCl2 mixtured with sulfuric acid had a good catalytic performance for the alkylation. The optimal reaction conditions were ob-tained as follows:IL[HO3S-(CH2)3-NEt3]Cl-ZnCl2(n([HO3S-(CH2)3-NEt3]Cl):n(ZnCl2)=1:2) 3. 0 g,water 1. 3 g,sulfuric acid 0. 3 g,HC( the mixture of isobutane and isobutylene)11. 5 g,n (isobutene):n(isobutylene)=10:1,reaction temperature 40 ℃ and reaction time 1 h. Under the above reaction conditions,the isobutylene conversion reached 99. 6%,the selectivity of TMP,DMH and C9 +(al-kane with more than 9 carbon)was 84. 8%,1. 2% and 14. 0%,respectively. The reusability of the cata-lyst composed by IL and sulfuric acid was also investigated. The conversion of isobutene and selectivities of products did not obviously change when the catalyst was used for 5 times.%设计合成了稳定性良好的 Brønsted-Lewis 双酸型离子液体(3-磺酸)-丙基三乙基铵氯锌酸盐-[ HO3 S-( CH2)3-NEt3]Cl-ZnCl2,并负载浓硫酸应用于催化异丁烷和异丁烯烷基化反应制备烷基化汽油。结果表明,负载少量浓硫酸的离子液体[ HO3 S-( CH2)3-NEt3]Cl-ZnCl2对烷基化反应具有良好的催化性能,在离子液体[ HO3 S-(CH2)3-NEt3]Cl-ZnCl2(n([HO3S-(CH2)3-NEt3]Cl):n(ZnCl2)=1:2)3.0 g,去离子水1.3 g,浓硫酸0.3 g,HC(异丁烷和异丁烯混合物)11.5 g,烷烯摩尔比为10:1,反应温度40℃,反应时间1 h的较佳反应条件下,异丁烯转化率达到99.6%,三甲基戊烷TMP、二甲基己烷DMH和C9+(碳链超过9个碳的烷烃)选择性分别为84.8%,1.2%和14.0%。催化体系重复使用5次,异丁烯的转化率以及产物的选择性没有明显变化,表明催化剂

  4. Tuning growth cycles of Brassica crops via natural antisense transcripts of BrFLC.

    Science.gov (United States)

    Li, Xiaorong; Zhang, Shaofeng; Bai, Jinjuan; He, Yuke

    2016-03-01

    Several oilseed and vegetable crops of Brassica are biennials that require a prolonged winter cold for flowering, a process called vernalization. FLOWERING LOCUS C (FLC) is a central repressor of flowering. Here, we report that the overexpression of natural antisense transcripts (NATs) of Brassica rapa FLC (BrFLC) greatly shortens plant growth cycles. In rapid-, medium- and slow-cycling crop types, there are four copies of the BrFLC genes, which show extensive variation in sequences and expression levels. In Bre, a biennial crop type that requires vernalization, five NATs derived from the BrFLC2 locus are rapidly induced under cold conditions, while all four BrFLC genes are gradually down-regulated. The transgenic Bre lines overexpressing a long NAT of BrFLC2 do not require vernalization, resulting in a gradient of shortened growth cycles. Among them, a subset of lines both flower and set seeds as early as Yellow sarson, an annual crop type in which all four BrFLC genes have non-sense mutations and are nonfunctional in flowering repression. Our results demonstrate that the growth cycles of biennial crops of Brassica can be altered by changing the expression levels of BrFLC2 NATs. Thus, BrFLC2 NATs and their transgenic lines are useful for the genetic manipulation of crop growth cycles. PMID:26250982

  5. LaBr3 gamma‐ray spectrometers for space applications

    NARCIS (Netherlands)

    Quarati, F.G.A.

    2013-01-01

    LaBr3 has been developed into large volume scintillator detectors within an ESA and TU Delft programme during this thesis work. The programme, which aimed at the space applications of LaBr3, also led to extensive experiments within a collaborative framework which included representatives for all the

  6. BR Quality of Jinzhou Petro- chemical Taking the Lead at Home

    Institute of Scientific and Technical Information of China (English)

    Ming Xuan

    2011-01-01

    In the first ten months of this year, Jinzhou Petrochemical totally produced 29,400 tons of BR, and realized sales income of RMB 760 million yuan. The product quality of BR took the lead at home and the top-grade product rate reached 98.5%.

  7. Estimering af bilers brændstofforbrug ved brug af eksisterende GPS data

    DEFF Research Database (Denmark)

    Andersen, Ove; Lahrmann, Harry; Torp, Kristian

    2012-01-01

    GPS data opsamles i mange sammenhænge f.eks. for at finde køretider i vejnettet. I denne artikel vises, hvorledes eksisterende GPS data kan bruges til at estimere brændstofforbruget for en tur. En metode til at estimere brændstofforbruget for en enkelt tur generaliseres til at kunne estimere...

  8. Measurement and simulation of proton induced activation of LaBr3 : Ce

    NARCIS (Netherlands)

    Buis, E. J.; Beijers, H.; Brandenburg, S.; Bos, A. J. J.; Dathy, C.; Dorenbos, P.; Drozdowski, W.; Kraft, S.; Maddox, E.; Ostendorf, R. W.; Owens, A.; Quarati, F.

    2007-01-01

    To assess the suitability of LaBr3:Ce scintillators for space mission applications, proton induced activation of LaBr3 has been investigated. The crystals were irradiated using proton beams at several different energies to mimic the spectrum of a solar flare. We have measured the activation both int

  9. Topological Analysis of Electron Density on the Halogen-bonding Interactions Between C_4H_6O,C_4H_6S and XF(X=F,Cl,Br)%C_4H_6O,C_4H_6S与XF(X=F,Cl,Br)分子间卤键的电子密度拓扑研究

    Institute of Scientific and Technical Information of China (English)

    曾艳丽; 吉丽婷; 郑世钧; 孟令鹏

    2011-01-01

    Theoretical studies on the halogen-bonding interactions of 2,5-dihydrofuran,2,5-dihydro-thiophene and XF(X=F,Cl,Br) were investigated at the MP2/aug-cc-pVDZ level.Results show that both n-type and π-type halogen-bonded complexes can be formed between C4H6O,C4H6S and XF.For C4H6O…XF(n),C4H6O…XF(π) and C4H6S…XF(π),the interaction energies,electron densities at the halogen bond critical point,and the charge transfer amount from donor to acceptor are all in sequence of B…F2B…ClFB…BrF(B=C4H6O and C4H6S).The halogen-bonding interactions of C4H6O…BrF(n),C4H6O…BrF(π),C4H6S…F2(n),C4H6S…ClF(n),C4H6S…BrF(n) and C4H6S…BrF(π) are stronger,with bond character between covalent and ionic.The other halogen-bonding interactions are weaker,with bond character "closed-shell" electrostatic interactions.%运用MP2/aug-cc-pVDZ方法对2,5-二氢呋喃,2,5-二氢噻吩与XF(X=F,Cl,Br)之间的卤键作用进行了理论研究.研究发现:C4H6O,C4H6S与XF之间不仅存在O(S)…XF n型卤键,C=C双键与XF分子亦可形成π型卤键;对于C4H6O与XF之间的n型和π型卤键以及C4H6S与XF之间的π型卤键,卤键键能ΔE、键鞍点处的电子密度ρ(rc)以及电子给体到受体之间的电子转移数Δq(XF)均按B…F2〈B…ClF〈B…BrF(B=C4H6O,C4H6S)的顺序依次增大;对于卤键键能较大的体系C4H6O…BrF(n),C4H6O…BrF(π),C4H6S…F2(n),C4H6S…ClF(n),C4H6S…BrF(n),C4H6S…BrF(π),卤键作用介于离子键和共价键之间;而对于其它的卤键键能较小的体系,卤键作用为闭壳层静电作用.

  10. AcEST: CL39Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL39Contig1 913 36 Adiantum capillus-veneris contig: CL39contig1 sequence. Link to clone list Show CL39C...ontig1 Contig ID CL39Contig1 Length 913 Number of clones 36 Definition Adiantum capillus-veneris contig: CL39c

  11. AcEST: CL1509Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL1509Contig1 1477 3 Adiantum capillus-veneris contig: CL1509contig1 sequence. Link... to clone list Show CL1509Contig1 Contig ID CL1509Contig1 Length 1477 Number of clones 3 Definition Adiantum... capillus-veneris contig: CL1509contig1 sequence. Link to clone list Link to clone list Clone ID BP916497 DK

  12. AcEST: CL89Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL89Contig1 651 21 Adiantum capillus-veneris contig: CL89contig1 sequence. Link to clone list Show CL89C...ontig1 Contig ID CL89Contig1 Length 651 Number of clones 21 Definition Adiantum capillus-veneris contig: CL89c

  13. AcEST: CL49Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL49Contig1 701 14 Adiantum capillus-veneris contig: CL49contig1 sequence. Link to clone list Show CL49C...ontig1 Contig ID CL49Contig1 Length 701 Number of clones 14 Definition Adiantum capillus-veneris contig: CL49c

  14. AcEST: CL59Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL59Contig1 769 28 Adiantum capillus-veneris contig: CL59contig1 sequence. Link to clone list Show CL59C...ontig1 Contig ID CL59Contig1 Length 769 Number of clones 28 Definition Adiantum capillus-veneris contig: CL59c

  15. AcEST: CL227Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL227Contig1 1060 9 Adiantum capillus-veneris contig: CL227contig1 sequence. Link to clone list Show CL2...27Contig1 Contig ID CL227Contig1 Length 1060 Number of clones 9 Definition Adiantum capillus-veneris contig: CL2

  16. AcEST: CL22Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL22Contig1 1518 45 Adiantum capillus-veneris contig: CL22contig1 sequence. Link to clone list Show CL2...2Contig1 Contig ID CL22Contig1 Length 1518 Number of clones 45 Definition Adiantum capillus-veneris contig: CL2

  17. AcEST: CL267Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL267Contig1 922 8 Adiantum capillus-veneris contig: CL267contig1 sequence. Link to clone list Show CL2...67Contig1 Contig ID CL267Contig1 Length 922 Number of clones 8 Definition Adiantum capillus-veneris contig: CL2

  18. AcEST: CL270Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL270Contig1 687 7 Adiantum capillus-veneris contig: CL270contig1 sequence. Link to clone list Show CL2...70Contig1 Contig ID CL270Contig1 Length 687 Number of clones 7 Definition Adiantum capillus-veneris contig: CL2

  19. AcEST: CL265Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL265Contig1 1000 8 Adiantum capillus-veneris contig: CL265contig1 sequence. Link to clone list Show CL2...65Contig1 Contig ID CL265Contig1 Length 1000 Number of clones 8 Definition Adiantum capillus-veneris contig: CL2

  20. AcEST: CL230Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL230Contig1 829 9 Adiantum capillus-veneris contig: CL230contig1 sequence. Link to clone list Show CL2...30Contig1 Contig ID CL230Contig1 Length 829 Number of clones 9 Definition Adiantum capillus-veneris contig: CL2

  1. AcEST: CL29Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL29Contig1 903 40 Adiantum capillus-veneris contig: CL29contig1 sequence. Link to clone list Show CL2...9Contig1 Contig ID CL29Contig1 Length 903 Number of clones 40 Definition Adiantum capillus-veneris contig: CL2

  2. AcEST: CL253Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL253Contig1 644 8 Adiantum capillus-veneris contig: CL253contig1 sequence. Link to clone list Show CL2...53Contig1 Contig ID CL253Contig1 Length 644 Number of clones 8 Definition Adiantum capillus-veneris contig: CL2

  3. AcEST: CL204Contig1 [AcEST

    Lifescience Database Archive (English)

    Full Text Available CL204Contig1 503 2 Adiantum capillus-veneris contig: CL204contig1 sequence. Link to clone list Show CL2...04Contig1 Contig ID CL204Contig1 Length 503 Number of clones 2 Definition Adiantum capillus-veneris contig: CL2

  4. Physical properties and failure behaviors of NR/BR blend compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nah, C.W. [Provincial College of Damyang, Damyang (Korea, Republic of); Jo, B.W. [Chosun University, Kwangju (Korea, Republic of)

    1999-03-01

    Various physical properties including failure properties were investigated for carbon black-filled NR/BR (natural rubber/polybutadiene rubber) blends in terms of blend ratio. To see the effect of carbon black type, two different carbon blacks were also incorporated in the rubber blends. In the range of BR content below 40 phr (NR-rich range), the effect of BR content on the tensile strength and tack property of the green compounds was relatively small, but a considerable effect was observed in the range above 40 phr. Apparent cure rate of NR was higher than that of BR, NR vulcanizate was found to be much stronger than BR one in view of tensile strength, crack resistance, and fatigue resistance, however, it was rather inferior in view of abrasion resistance, cutting-chipping resistance, and resistance to heat. 26 refs., 13 figs., 1 tab.

  5. Three-dimensional intramolecular dynamics: Internal rotation of (CH3)3GeBr

    International Nuclear Information System (INIS)

    The microwave spectra of (CH3)374Ge79Br and its isotopologues (CH3)372Ge79Br and (CH3)374Ge81Br have been studied in the frequency range from 2.4-20 GHz revealing the complex internal dynamics of this organometallic molecule with three internal rotors. The assignment of the complex spectrum has been facilitated by permutation-inversion theory - the appropriate molecular symmetry group is G162. The V3 barrier to internal rotation is determined to be 4.783(12) kJ/mol. An analysis of the bromine quadrupole coupling yields the description of the Ge-Br and the Ge-C bonding characters. From this analysis we find that the bromine atom has a positive partial charge resulting from π-backbonding of the bromine towards germanium. From isotopic substitution, the Ge-Br bond distance could be determined to 2.34589(21) A

  6. Brändi-identiteetti bändin tunnuksen suunnittelun perustana : Case: Skulduggery

    OpenAIRE

    Ylönen, Riina

    2013-01-01

    Opinnäytetyössä perehdyttiin käsitteeseen brändi ja brändi-identiteetin määrittelyn merkitykseen brändin rakennusprosessissa osana kuopiolaisen, progressiivista rockia soittavan bändin tunnuksen suunnittelua. Työssä pohdittiin legendaarisen rock-bändin esimerkin kautta sitä, mitä brändiksi muodostuminen bändiltä vaatii sekä sitä, millaisia ominaispiirteitä progressiivista rockia soittavien bändien tunnuksissa on. Teoriaosuudessa ei käsitelty brändin tunnetuksi tekemiseen tähtäävää strategi...

  7. Brändin tunnettuus ja kehittäminen : Case: Ravintola.fi

    OpenAIRE

    Kailio, Armi; Rosvall, Sofia

    2015-01-01

    Tämän opinnäytetyön aiheena oli brändin tunnettuus ja kehittäminen. Näkökulmana tässä työssä oli Ravintola.fi-brändi, joka on Restamax Oyj:n kanta-asiakasjärjestelmä ja samalla yrityksen tarjoama brändi. Työn tavoitteena oli tutkia Ravintola.fi:n tämänhetkistä tunnettuutta Tampereen seudulla ja tutkimuksen pohjalta kehittää brändiä ja sen tunnettuutta. Opinnäytetyön tarkoituksena oli luoda työn toimeksiantajalle, Restamax Oyj:lle, kehittämisehdotuksia ja työkaluja brändinsä kehittämiseen. ...

  8. Jean-Philippe BELLEAU, Le mouvement indien au Brésil. Du village aux organisations

    OpenAIRE

    Fichet, Pascaline

    2015-01-01

    « Le mouvement indien au Brésil est un miracle », annonce l'accroche de la quatrième de couverture du dernier ouvrage de Jean-Philippe Belleau, Le mouvement indien au Brésil, Du village aux organisations. Depuis 1974, année de la première assemblée indigène brésilienne, les indiens du Brésil se sont progressivement constitués en acteurs modernes et éminents de l'espace politico-social national, à travers ce que l'auteur qualifiera de « mouvement indien » brésilien. Comment ces individus issus...

  9. An Exergy Analysis of LiBr-Water Absorption Refrigerators

    Science.gov (United States)

    Asano, Hitoshi; Fujii, Terushige; Wang, Xiao; Origane, Takafumi; Katayama, Masatoshi; Inoue, Umeo

    Absorption refrigerators are very efficient as a heat recovery unit in a co-generation system.In order to design an absorption refrigerator for an arbitrary heat source properly, it is important to consider not only quantity but also quality of heat flow. The evaluation of exergy loss in each component is also effective for the improvement of system. This paper deals with the exergy analysis on a LiBr-water absorption refrigerator consisted of a single-and a double-effect cycle driven by the exhaust gas of the micro gas turbine with the output power of about 30 kW. Moreover, exergy loss in absorption process was eva1uated. As a result, it was shown that 80% of the exergy loss in an absorber was caused in absorption process, and the exergy loss decreased with decreasing the change in solution concentration in absorber. In these calculated results,the maximum cooling load of 77.8 kW was obtained from the exhaust gas with the temperature of 2900°C by utilizing both a single-and a double-effect cycles in combination. The energy and exergy efficiency of the system was 88.0% and 25.6%, respectively.

  10. 电动势法测定混合电解质CsBr+NaBr+H2O体系的活度系数%Electromotiye force measurements of activity coefficients for the ternary system (CsBr + NaBr + H2O)

    Institute of Scientific and Technical Information of China (English)

    谢培培; 李淑妮; 翟全国; 蒋育澄; 胡满成

    2013-01-01

    Activity coefficients of the ternary system (CsBr + NaBr + H2O) were determined by electromotive force (EMF) measurements using the cell: Cs-ion selective electrode(ISE) | CsBr (mA), NaBr (mB) | Br-ion selective electrode (ISE) at 298. 15 K, and over total ionic strengths from range 0. 01 to 1. 0 mol/kg for different ionic strength fractions (0. 25, 0. 5 and 0. 75). The experimental data were satisfactorily described via the Pitzer and Harned models. The Pitzer binary and ternary ionic interaction parameters and the Harned parameters have also been calculated.%采用电池Cs-ISE | CsBr(mA),NaBr (mB)| Br-ISE测定了298.15 K温度下CsBr+NaBr+H2O体系在离子强度I=0.01~1.00 mol/kg范围内,离子强度分数yB=0,0.25,0.50和0.75时的电动势,实验结果分别用Pitzer方程和Harned经验公式进行拟合,得到该体系的Pitzer二离子、三离子相互作用参数和Harned参数.拟合结果表明,Pitzer方程和Harned经验公式均能理想地适用于该三元盐水体系.

  11. La chanson brésilienne et la construction de réprésentations interculturelles

    Directory of Open Access Journals (Sweden)

    Maria Lúcia Jacob de Barros

    2011-11-01

    Full Text Available Resumo: Abordar uma canção numa aula de FLE (francês lingua estrangeira, é abordar um mundo em várias dimensões : musical, lingüístico, culural e até mesmo visual, quando é o caso de um clip. propomo-nos fazer aqui uma abordagem, do ponto de vista intercultural, entre a canção francesa e a canção brasileira. Tomando alguns exemplos e canções que foram objeto de uma versão em francês e, através da comparação desses textos/letras – o texto original e a versão em francês -, tentaremos localizar as representações da cultura brasileira evidenciadas nesse processo de criação, pela transposição de uma língua/cultura a outra.Palavras-chave: Língua portuguesa; língua francesa; Brasil; França; música; tradução.Résumé: Nous nous proposons ici de faire une approche, du point de vue interculturel, entre la chanson française et la chanson brésilienne. Nous avons choisi quelques exemples de chansons qui ont été l’objet d’une version en français et, à travers la comparaison de ces textes/paroles – le texte original et la version en français - , nous essaierons de repérer les représentations de la culture brésilienne mises en évidence dans ce processus de création, par transposition d’une langue/culture à l’autre.Mots-clés: Langue portugaise; langue française; Brésil; France; musique; traduction.Keywords: Portuguese; French; Brazil; France; music; translation.

  12. On Sensitivity of HE CL-20

    Institute of Scientific and Technical Information of China (English)

    Yu. V. Sheikov; L. A. Andrievskikh; V. G. Vasipenko; S. A. Vakhmistrov; N. N. Zhbanova; V. B. Kosolapov; L.V.Fomicheva

    2004-01-01

    @@ 1 Introduction Recently a series of publications appeared in literature devoted to study of properties of hexanitrohexaazaisowurtzitan( CL-20), which is considered as an explosive with performance higher than that of HMX, and which has moderate sensitivity[1].

  13. Equations for calculation of NaCl/( NaCl + CaCl2 ) ratios and salinities from hydrohalite-melting and ice-melting temperatures in the H2O-NaCl-CaCl2 system%利用H2O-NaCl-CaCl2体系水盐化合物和冰的融化温度计算NaCl/(NaCl+CaCl2)比值和盐度的方程

    Institute of Scientific and Technical Information of China (English)

    Guoxiang Chi; Pei Ni

    2007-01-01

    The composition of fluid inclusions in the H2O-NaCl-CaCl2 system has been generally graphically estimated using the melting temperatures of hydrohalite ( Tm-HH ) and ice ( Tm-ice ). Here we present two equations that can be used to calculate the relative proportion of NaCl ( i. e. , NaCt/[ NaCl + CaCl2 ], or XNaCl) and the total salinity ( i. e. , NaCl + CaCl2, wt% ) for fluid inclusions with ice as the last melting phase. XNaCl can be calculated from Tm-HH using the following equation:y= ( a + bx)-1/c where y is XNaCl, x is Tm-HH, a =0. 33124402, b = -0.031518028, and c =0. 22932736. In the cases where only Tm-ice is measured and Tm-HH is not known, Tm-ice can be used as the maximum possible Tm-HH to calculate the maximum value of XNaCl using the above equation. In these cases, the following equation can be used to calculate the maximum total salinity: y = (a +bx +cx2) -1 where y is salinity, x is Tm-HH, a = 0. 057184817, b = 0. 00078565757, and c = 5. 7262766E-6. Because the isothems in the field of ice are sub-parallel to the NaCl-CaCl2 binary side in the H2O-NaCl-CaCl2 ternary system, the errors in salinity calculation introduced by the above approximation are small ( less than 2 wt% ). A Windows program for calculation of XNacl and salinity is available at: http ://uregina. ca/~ chiguox.

  14. OpenCL programming using Python syntax

    OpenAIRE

    Massimo Di Pierro

    2013-01-01

    We describe ocl, a Python library built on top of p yOpenCL and numpy. It allows programming GPU devices using Python. Python functions which ar e marked up using the provided decorator, are converted into C99/OpenCL and compil ed using the JIT at runtime. This approach lowers the barrier to entry to programming GPU devices since it requires only Python syntax and no external compilation or linkin g steps. The resulting Pyth...

  15. Continuous-time photon-stimulated desorption spectroscopy studies on soft x-ray-induced reactions of CF{sub 3}Br adsorbed on Si(111)-7x7

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, W.-C.; Wang, S.-K.; He, T.-M.; Chou, L.-C.; Hsieh, Y.-C.; Liao, K.-Y.; Chen, H.-C.; Wen, C.-R. [Department of Physics, National Cheng Kung University, Tainan 70101, Taiwan (China)

    2011-10-28

    Continuous-time core-level photon-stimulated desorption (PSD) spectroscopy was used to study the soft x-ray-induced reactions of CF{sub 3}Br molecules adsorbed on Si(111)-7x7 near the Si(2p) edge (98-110 eV). The monochromatic synchrotron radiation was employed as a soft x-ray light source in the photon-induced reactions and also as a probe for investigating the produced fluorination states of the bonding surface Si atom in the positive-ion PSD spectroscopy. Several different surface coverages were investigated. The PSD spectra from the low-CF{sub 3}Br-covered surfaces show the production of surface SiF species, while those from the high-CF{sub 3}Br-covered surfaces depict the formation of surface SiF, SiF{sub 2}, and SiF{sub 3} species. The photolysis cross section of the submonolayer CF{sub 3}Br-covered surface is determined as {approx}4.3x10{sup -18} cm{sup 2}. A comparison with the results on CF{sub 3}Cl/Si(111)-7x7 surface is discussed.

  16. Rietveld refinement of Sr5(AsO43Cl from high-resolution synchrotron data

    Directory of Open Access Journals (Sweden)

    2009-03-01

    Full Text Available The apatite-type compound, pentastrontium tris[arsenate(V] chloride, Sr5(AsO43Cl, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite [Pb5(AsO43Cl] with SrCO3 as a by-product. The results of the Rietveld refinement, based on high resolution synchrotron X-ray powder diffraction data, show that the title compound crystallizes in the same structure as other halogenoapatites with general formula A5(YO43X (A = divalent cation, Y = pentavalent cation, and X = F, Cl or Br in the space group P63/m. The structure consists of isolated tetrahedral AsO43− anions (the As atom and two O atoms have m symmetry, separated by two crystallographically independent Sr2+ cations that are located on mirror planes and threefold rotation axes, respectively. One Sr atom is coordinated by nine O atoms and the other by six. The chloride anions (site symmetry overline3 are at the 2a sites and are located in the channels of the structure.

  17. "JCE" Classroom Activity Connections: NaCl or CaCl[subscript 2], Smart Polymer Gel Tells More

    Science.gov (United States)

    Chen, Yueh-Huey; Lin, Jia-Ying; Wang, Yu-Chen; Yaung, Jing-Fun

    2010-01-01

    This classroom activity connection demonstrates the differences between the effects of NaCl (a salt of monovalent metal ions) and CaCl[subscript 2] (a salt of polyvalent metal ions) on swollen superabsorbent polymer gels. Being ionic compounds, NaCl and CaCl[subscript 2] both collapse the swollen polymer gels. The gel contracted by NaCl reswells…

  18. Radiocarbon dating and the 36Cl/Cl evolution of three Great Artesian Basin wells at Dalhousie, South Australia

    Science.gov (United States)

    Abu Risha, Usama A.

    2016-06-01

    The use of 14C (half-life = 5,730 years) in modeling the evolution of the 36Cl/Cl ratios in groundwater is reported for the first time. The complexity of the Cl-36Cl system due to the occurrence of different Cl and 36Cl sources and the difficulty of the determination of the initial groundwater 36Cl/Cl ratios have raised concerns about the reliability of using 36Cl (half-life = 301 thousand years, a) as a groundwater-dating tool. This work uses groundwater 14C age as a calibrating parameter of the Cl-36Cl/Cl decay-mixing models of three wells from the southwestern Great Artesian Basin (GAB), Australia. It aims to allow for the different sources of Cl and 36Cl in the southwestern GAB aquifer. The results show that the initial Cl concentrations range from 245 to 320 mg/l and stable Cl is added to groundwater along flowpaths at rates ranging from 1.4 to 3.5 mg/l/ka. The 36Cl content of the groundwater is assumed to be completely of atmospheric origin. The samples have different Cl-36Cl/Cl mixing-decay models reflecting recharge under different conditions as well as the heterogeneity of the aquifer.

  19. Phase diagrams for the binary systems NdCl3-LiCl and PrCl3-LiCl

    OpenAIRE

    Kim, I; 岡本芳浩

    1999-01-01

    NdCl3-LiCl及びPrCl3-LiClの各2成分系の相状態を、200~800circCの範囲における示差熱分析及び急冷したサンプルの室温X線回折によって調べた。NdCl3-LiCl系では、31mol%NdCl3の組成に共晶(456circC)が見られたのに加えて、包晶点(467circC)の存在が観測された。一方、PrCl3-LiCl系では同じく31mol%PrCl3の組成に共晶(464circC)が見いだされたのみで包晶の存在は確認されなかった。これらの結晶をもとに、各2成分系の状態図を作成した。...

  20. Electric conductivity of PCl5-ZrCl4, PCl5-TaCl5, and PCl5-MoCl5 molten mixtures

    International Nuclear Information System (INIS)

    When mixing individual molecular melts of PCl5 with ZrCl4, TaCl5 or with MoCl5, an essential (by several orders) increase in electric conductivity (up to 0.02-0.1 Ohm-1·cm-1), which stems, in all probability, from the appearance of complex ions PCl4+, ZrCl5-, ZrCl62-, TaCl5- and MoCl6- in the molten mixtures as a result of chemical interaction

  1. Satellite observations of long range transport of a large BrO plume in the Arctic

    Directory of Open Access Journals (Sweden)

    M. Begoin

    2010-07-01

    Full Text Available Ozone Depletion Events (ODE during polar springtime are a well known phenomenon in the Arctic and Antarctic boundary layer. They are caused by the catalytic destruction of ozone by halogens producing reactive halogen oxides like bromine monoxide (BrO. The key halogen bromine can be rapidly transferred into the gas phase in an autocatalytic process – the so called "Bromine Explosion". However, the exact mechanism, which leads to an initial bromine release as well as the influence of transport and chemical processes on BrO, is still not clearly understood. <br>> In this study, BrO measurements from the satellite instrument GOME-2 are used together with model calculations with the dispersion model FLEXPART to study an arctic BrO event in March 2007, which could be tracked over several days and a large area. Full BrO activation was observed within one day east of Siberia with subsequent transport to Hudson Bay. The event was linked to a cyclone with very high surface wind speeds, which could have been involved in the production and lifting of aerosols or blowing snow. Considering the short life time of BrO, transported aerosols or snow can also provide the surface for BrO recycling within the plume for several days. The evolution of the BrO plume could be reproduced by FLEXPART simulations of a passive tracer indicating that the activated air mass was transported all the way from Siberia to Hudson Bay. To localise the most probable transport height, model runs initialised in different heights have been performed showing similar transport patterns throughout the troposphere but best agreement with the measurements between the surface and 3 km. The influence of changes in tropopause height on measured BrO values has been considered, but cannot completely explain the observed high BrO values. Backward trajectories from the area of BrO initialisation show upward lifting from the surface up to 3 km and no indication for intrusion of stratospheric

  2. Reduction behavior of cerium(Ⅲ) ions in NaCl-2CsCl melt

    Institute of Scientific and Technical Information of China (English)

    QI Xue; ZHU Hongmin

    2005-01-01

    The cathodic process of cerium(Ⅲ) ions in NaCl-2CsCl melt was studied by cyclic voltammetry and square wave voltammetry with tungsten and gold electrodes at 873 K. The two electroanalytical methods yield similar results. The cathodic process of cerium(Ⅲ) ions consists of two reversible steps: Ce3+ + e-= Ce2+ and Ce2+ + 2e-= Ce. The half wave potentials of Ce3+/Ce2+ and Ce2+/Ce were determined as -2.525 V vs. Cl2/Cl- and -2.975 V vs. Cl2/Cl-, respectively. The diffusion coefficient of Ce3+ was also determined as 5.5 × 10-5 cm2·s-1.

  3. BR-SIPP: PETROBRAS Integrated Scheduling System; BR-SIPP: Sistema Integrado de Progamacao de Producao da PETROBRAS

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, Cristiane S.; Joly, Marcel; Hassimotto, Marcelo K.; Magalhaes, Marcus Vinicius O. [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil)

    2008-07-01

    The lack of a computational aided technology to support short-term scheduling activity in the oil and petrochemical sector has been identified as one of the major obstacles to the harmonic integration of production objectives subsequent to the implementation of the advanced control systems and the consolidation of important benefits at the process unit level. Such technology refers to an analytical tool able to capture plant operational information consistent with the scheduling layer demands, modeling the production system economic performance, and providing mechanisms to consider commercial, operation and technological uncertainties. In this context, PETROBRAS has continuously dedicated effort to develop, implement and enhance its own refinery scheduling solution. Nowadays at its second version, the PETROBRAS Integrated Scheduling System (BR-SIPP - INPI grant 00067400) has become the focus of corporate care, given its critical role on the link between planning objectives and plant operations, according to the hierarchical decision strategy currently adopted by PETROBRAS. This paper presents an overview of the tool and illustrates some real-world applications and main realized benefits. (author)

  4. The X-ray response of TlBr

    International Nuclear Information System (INIS)

    We present the results of a series of X-ray measurements on several prototype TlBr detectors. The devices were fabricated from mono-crystalline material and were typically of size 2.7x2.7x0.8 mm3. The material is extremely pure, having impurity concentrations -4and 1x10-5 cm2 V-1, respectively, which are about an order of magnitude higher than previously reported values. Three detectors were fabricated and extensively tested over the energy range 2.3-100 keV at three synchrotron radiation facilities: the Physikalisch-Technische Bundesanstalt (PTB) laboratory at the Berliner Elektronenspeicherring fuer Synchrotronstrahlung (BESSY II), the European Synchrotron Radiation Research Facility (ESRF) and the Hamburger Synchrotron-strahlungslabor (HASYLAB) radiation facility. Room temperature energy resolutions under full-area illumination of 1.8 and 3.3 keV FWHM have been achieved at 5.9 and 59.95 keV, respectively. At reduced detector temperatures of -30 deg. C, these fall to 800 eV and 2.6 keV FWHM, respectively. Under monochromatic pencil beam illumination, the measured energy resolutions at 6 and 60 keV were 664 eV and ∼3 keV FWHM at the same temperature. For energies 2, 12 keV mono-energetic X-ray beam, raster scanned over the forward active area. Whilst two detectors were spatially uniform to a level commensurate with statistics, the third was not. In all cases, evidence was found for charge collection problems caused by field fringing

  5. Characterization of the interaction between collectin 11 (CL-11, CL-K1) and nucleic acids

    DEFF Research Database (Denmark)

    Henriksen, Maiken Lumby; Brandt, Jette; Iyer, Sinduja S C;

    2013-01-01

    to changes in ionic strength and pH. Competition studies show that CL-11 binds to nucleic acids and carbohydrates via separate binding-sites and oligomericity appears crucial for binding activity. Combined interaction with DNA and mannan strongly increases binding avidity. By surface plasmon resonance we...... estimate the dissociation constant for the binding between CL-11 and double stranded DNA oligonucleotides to KD=9-20nM. In an in vitro assay we find that CL-11 binds to DNA coated surfaces, which leads to C4b deposition via MASP-2. We propose that CL-11, e.g. via complement, may play a role in response...

  6. Electrochemical Deposition of Aluminum from NaCl-AlCl3 Melts

    DEFF Research Database (Denmark)

    Li, Qingfeng; Hjuler, H. A.; Berg, Rolf W.;

    1990-01-01

    Electrochemical deposition of aluminum from NaAlCl4 melts saturated with NaCl onto a glassy carbon electrode at175°C has been studied by voltammetry, chronoamperometry, and constant current deposition. The deposition of aluminumwas found to proceed via a nucleation/growth mechanism, and the nucle......Electrochemical deposition of aluminum from NaAlCl4 melts saturated with NaCl onto a glassy carbon electrode at175°C has been studied by voltammetry, chronoamperometry, and constant current deposition. The deposition of aluminumwas found to proceed via a nucleation/growth mechanism...

  7. Arbuscular mycorrhizal fungal diversity in the Tuber melanosporum brûlé.

    Science.gov (United States)

    Mello, Antonietta; Lumini, Erica; Napoli, Chiara; Bianciotto, Valeria; Bonfante, Paola

    2015-06-01

    The development of the fruiting body (truffle) of the ectomycorrhizal fungus Tuber melanosporum is associated with the production of an area (commonly referred to with the French word brûlé) around its symbiotic plant that has scanty vegetation. As truffles produce metabolites that can mediate fungal-plant interactions, the authors wondered whether the brûlé could affect the arbuscular mycorrhizal fungi (AMF) that colonize the patchy herbaceous plants inside the brûlé. A morphological evaluation of the roots of plants collected in 2009 from a T. melanosporum/Quercus pubescens brûlé in France has shown that the herbaceous plants are colonized by AMF to a great extent. An analysis of the 18S rRNA sequences obtained from roots and soil inside the brûlé has shown that the AMF community structure seemed to be affected in the soil inside the brûlé, where less richness was observed compared to outside the brûlé. PMID:25986549

  8. Comparative study of antimicrobial activity of AgBr and Ag nanoparticles (NPs.

    Directory of Open Access Journals (Sweden)

    Petr Suchomel

    Full Text Available The diverse mechanism of antimicrobial activity of Ag and AgBr nanoparticles against gram-positive and gram-negative bacteria and also against several strains of candida was explored in this study. The AgBr nanoparticles (NPs were prepared by simple precipitation of silver nitrate by potassium bromide in the presence of stabilizing polymers. The used polymers (PEG, PVP, PVA, and HEC influence significantly the size of the prepared AgBr NPs dependently on the mode of interaction of polymer with Ag+ ions. Small NPs (diameter of about 60-70 nm were formed in the presence of the polymer with low interaction as are PEG and HEC, the polymers which interact with Ag+ strongly produce nearly two times bigger NPs (120-130 nm. The prepared AgBr NPs were transformed to Ag NPs by the reduction using NaBH4. The sizes of the produced Ag NPs followed the same trends--the smallest NPs were produced in the presence of PEG and HEC polymers. Prepared AgBr and Ag NPs dispersions were tested for their biological activity. The obtained results of antimicrobial activity of AgBr and Ag NPs are discussed in terms of possible mechanism of the action of these NPs against tested microbial strains. The AgBr NPs are more effective against gram-negative bacteria and tested yeast strains while Ag NPs show the best antibacterial action against gram-positive bacteria strains.

  9. Studies on Ca2+-Doped CeBr3 Scintillating Materials

    Energy Technology Data Exchange (ETDEWEB)

    Guss, P. [NSTec; Foster, M. E. [SNL; Wong, B. M. [SNL; Doty, F. P. [SNL; Shah, K. [RMD; Squillante, M. R. [RMD; Shirwadkar, U. [RMD; Hawrami, R. [RMD; Tower, J. [RMD; Yuan, D. [NSTec

    2013-09-01

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide (LaBr3:Ce), their commercial availability and application is limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. The objective of this investigation was to employ aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was investigated as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were investigated using the density functional theory within generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  10. Studies on Ca2+-Doped CeBr3 Scintillating Materials

    Energy Technology Data Exchange (ETDEWEB)

    Guss, P. [NSTec; Foster, M. E. [SNL; Wong, B. M. [SNL; Doty, F. P. [SNL; Shah, K. [RMD; Squillante, M. [RMD; Glodo, J. [RMD; Yuan, D. [NSTec

    2013-07-03

    Despite the outstanding scintillation performance characteristics of cerium tribromide (CeBr3) and cerium-activated lanthanum tribromide (LaBr3:Ce), their commercial availability and application is limited due to the difficulties of growing large, crack-free single crystals from these fragile materials. The objective of this investigation was to employ aliovalent doping to increase crystal strength while maintaining the optical properties of the crystal. One divalent dopant (Ca2+) was investigated as a dopant to strengthen CeBr3 without negatively impacting scintillation performance. Ingots containing nominal concentrations of 1.9% of the Ca2+ dopant were grown. Preliminary scintillation measurements are presented for this aliovalently doped scintillator. Ca2+-doped CeBr3 exhibited little or no change in the peak fluorescence emission for 371 nm optical excitation for CeBr3. The structural, electronic, and optical properties of CeBr3 crystals were investigated using the density functional theory within generalized gradient approximation. The calculated lattice parameters are in good agreement with the experimental data. The energy band structures and density of states were obtained. The optical properties of CeBr3, including the dielectric function, were calculated.

  11. Interactions between ionic liquid surfactant [C12mim]Br and DNA in dilute brine.

    Science.gov (United States)

    He, Yunfei; Shang, Yazhuo; Liu, Zhenhai; Shao, Shuang; Liu, Honglai; Hu, Ying

    2013-01-01

    Interactions between ionic liquid surfactant [C(12)mim]Br and DNA in dilute brine were investigated in terms of various experimental methods and molecular dynamics (MD) simulation. It was shown that the aggregation of [C(12)mim]Br on DNA chains is motivated not only by electrostatic attractions between DNA phosphate groups and [C(12)mim]Br headgroups but also by hydrophobic interactions among [C(12)mim]Br alkyl chains. Isothermal titration calorimetry analysis indicated that the [C(12)mim]Br aggregation in the presence and absence of DNA are both thermodynamically favored driven by enthalpy and entropy. DNA undergoes size transition and conformational change induced by [C(12)mim]Br, and the charges of DNA are neutralized by the added [C(12)mim]Br. Various microstructures were observed such as DNA with loose coil conformation in nature state, necklace-like structures, and compact spherical aggregates. MD simulation showed that the polyelectrolyte collapses upon the addition of oppositely charged surfactants and the aggregation of surfactants around the polyelectrolyte was reaffirmed. The simulation predicted the gradual neutralization of the negatively charged polyelectrolyte by the surfactant, consistent with the experimental results. PMID:23010047

  12. Ultrasonic synthesis, formation mechanism and optical properties of single-crystalline Pb(OH)Br microrings

    Energy Technology Data Exchange (ETDEWEB)

    Wang Guizhen, E-mail: wangguizhen0@hotmail.com [Key Laboratory of Ministry of Education for Application Technology of Chemical Materials in Hainan Superior Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228 (China); Key Laboratory of Chinese Education Ministry for Tropical Biological Resources, Hainan University, Haikou 570228 (China); Wan Gengping [Key Laboratory of Ministry of Education for Application Technology of Chemical Materials in Hainan Superior Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228 (China); Key Laboratory of Chinese Education Ministry for Tropical Biological Resources, Hainan University, Haikou 570228 (China); Lin Shiwei; Yu Wenhui [Key Laboratory of Ministry of Education for Application Technology of Chemical Materials in Hainan Superior Resources, College of Materials and Chemical Engineering, Hainan University, Haikou 570228 (China)

    2012-02-15

    Highlights: Black-Right-Pointing-Pointer Elliptic Pb(OH)Br microrings were synthesized by a simple sonochemical process. Black-Right-Pointing-Pointer Size distribution of the median holes could be controlled. Black-Right-Pointing-Pointer Microrings were formed by ultrasonic etching accompanying the Ostwald ripening. Black-Right-Pointing-Pointer Pb(OH)Br microrings exhibit optical properties of semiconductors. - Abstract: Novel elliptic Pb(OH)Br microrings have been controllably synthesized on a large scale by a simple sonochemical process in aqueous solution. The structure characterizations of such microrings were investigated in detail by means of X-ray powder diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy. The results indicate that the uniform orthorhombic phase of Pb(OH)Br microrings with good crystallinity can be obtained and such ring-like Pb(OH)Br is single crystalline with the (0 1 1) plane as the 2D exposed surface. The influence of reaction time and alkali sources on the evolution of structures has been studied. The possible hollowing growth mechanism for the Pb(OH)Br microrings has been discussed. Meanwhile, the ultraviolet-visible absorbance spectra and photoluminescence microrings show their ultraviolet absorption and green emitting behavior, indicating that the elliptic Pb(OH)Br microrings have great potential to be applied in luminescent and optoelectronic devices.

  13. Ultrasonic synthesis, formation mechanism and optical properties of single-crystalline Pb(OH)Br microrings

    International Nuclear Information System (INIS)

    Highlights: ► Elliptic Pb(OH)Br microrings were synthesized by a simple sonochemical process. ► Size distribution of the median holes could be controlled. ► Microrings were formed by ultrasonic etching accompanying the Ostwald ripening. ► Pb(OH)Br microrings exhibit optical properties of semiconductors. - Abstract: Novel elliptic Pb(OH)Br microrings have been controllably synthesized on a large scale by a simple sonochemical process in aqueous solution. The structure characterizations of such microrings were investigated in detail by means of X-ray powder diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy. The results indicate that the uniform orthorhombic phase of Pb(OH)Br microrings with good crystallinity can be obtained and such ring-like Pb(OH)Br is single crystalline with the (0 1 1) plane as the 2D exposed surface. The influence of reaction time and alkali sources on the evolution of structures has been studied. The possible hollowing growth mechanism for the Pb(OH)Br microrings has been discussed. Meanwhile, the ultraviolet–visible absorbance spectra and photoluminescence microrings show their ultraviolet absorption and green emitting behavior, indicating that the elliptic Pb(OH)Br microrings have great potential to be applied in luminescent and optoelectronic devices.

  14. Development and validation of the Affect in Play Scale-brief rating version (APS-BR).

    Science.gov (United States)

    Cordiano, Tori J Sacha; Russ, Sandra W; Short, Elizabeth J

    2008-01-01

    The Affect in Play Scale (APS; Russ, 1987, 2004) is one of few reliable, standardized measures of pretend play, yet the fact that it requires videotaping and extensive training to score compromises its clinical utility. In this study, we developed and validated a brief rating version (APS-BR) that does not require videotaping. Construct validity was established by comparing scores from the original APS and the APS-BR using an existing data set of videotaped play (n = 46). We examined associations between scores on the APS-BR and theoretically relevant measures of divergent thinking and emotional memories. Scores on the APS-BR related strongly to those on the APS, and the pattern of correlations for each scale and relevant criterion measures was similar in strength and direction, supporting the APS-BR as an alternate form of the APS. In addition, we completed a pilot study to examine the efficacy of using the APS-BR in its intended in vivo format (n = 28). Results from both studies suggest that the APS-BR is a promising brief measure of children's pretend play that can be substituted for the APS in clinical and research settings. PMID:18444095

  15. Molecular Recognition of Metal Complexes by DNA: A Comparative Study of the Interactions of the Parent Complexes [PtCl(TERPY)]Cl and [AuCl(TERPY)]Cl 2 with Double Stranded DNA

    OpenAIRE

    Luigi Messori; Giordana Marcon; Alessio Innocenti; Enzo Gallori; Marco Franchi; Pierluigi Orioli

    2005-01-01

    The interactions of the parent complexes [AuCl(Terpy)]Cl2 and [PtCl(Terpy)]Cl with DNA were analysed by various physicochemical methods. Surprisingly, these metal complexes produce different interaction patterns with DNA in spite of their profound structural similarity. Indeed, important modifications are detected in the characteristic UV-Vis bands of [PtCl(Terpy)]Cl upon addition of ct-DNA, while the spectrum of [AuCl(Terpy)]Cl2 is almost unaffected. Gel electrophoresis studies confirm these...

  16. Quantum chemical study of chlorine-dissociation of oxalyl chloride (ClCO)2→2Cl + 2CO

    Institute of Scientific and Technical Information of China (English)

    戴年珍; 李宗和

    2003-01-01

    The multi-bond dissociation dynamics of oxalyl chloride ((ClCO)2) is investigated by ab initio calculation. Dissociation of C-Cl bond of oxalyl chloride in the ground state is of barrierless. After the absorption of a photon, (ClCO)2 is excited to the first excited state and one of its C-Cl bonds is broken toyield Cl and ClCOCO* free radicals. In addition, ClCOCO* with high energy is prone to release energy (Q), and to turn into ClCOCO in the ground state. The energy (Q) is adequate for ClCOCO to break down into ClCO and CO, and even for ClCO into Cl and CO. The result is consistent with the experimental data that Kong reported.

  17. Single crystal growth, electronic structure and optical properties of Cs2HgBr4

    Science.gov (United States)

    Lavrentyev, A. A.; Gabrelian, B. V.; Vu, V. T.; Shkumat, P. N.; Parasyuk, O. V.; Fedorchuk, A. O.; Khyzhun, O. Y.

    2015-10-01

    We report on successful synthesis of high-quality single crystal of cesium mercury tetrabromide, Cs2HgBr4, by using the vertical Bridgman-Stockbarger method as well as on studies of its electronic structure. For the Cs2HgBr4 crystal, we have recorded X-ray photoelectron spectra for both pristine and Ar+ ion-bombarded surfaces. Our data indicate that the Cs2HgBr4 single crystal surface is rather sensitive with respect to Ar+ ion-bombardment. In particular, such a treatment of the Cs2HgBr4 single crystal surface alters its elemental stoichiometry. To explore peculiarities of the energy distribution of total and partial densities of states within the valence band and the conduction band of Cs2HgBr4, we have made band-structure calculations based on density functional theory (DFT) employing the augmented plane wave+local orbitals (APW+lo) method as incorporated in the WIEN2k package. The APW+lo calculations allow for concluding that the Br 4p states make the major contributions in the upper portion of the valence band, while its lower portion is dominated by contributors of the Hg 5d and Cs 5p states. Further, the main contributors to the bottom of the conduction band of Cs2HgBr4 are the unoccupied Br p and Hg s states. In addition, main optical characteristics of Cs2HgBr4 such as dispersion of the absorption coefficient, real and imaginary parts of dielectric function, electron energy-loss spectrum, refractive index, extinction coefficient and optical reflectivity have been explored from the first-principles band-structure calculations.

  18. Aplicaciones prácticas de la espectroscopía de absorción infrarroja en el estudio de los crudos, del clínker y del cemento portland anhidro

    Directory of Open Access Journals (Sweden)

    Vázquez, Tomás

    1980-09-01

    Full Text Available Not available<br>>En la primera parte de este trabajo (* se trató brevemente y de una manera fundamentalmente práctica el estudio por espectroscopía infrarroja de calizas, arcillas, clínker portland y sus fases constituyentes. En, el presente trabajo finalizará esta exposición con una visión general de algunas posibilidades que tiene la espectroscopía IR en el estudio del cemento portland anhidro, así como el estudio breve de puzolanas, escorias y cenizas volantes, como adiciones activas.

  19. Análisis de los transitorios de ruido electroquímico para aceros inoxidables 316 Y – DUPLEX 2205 en NaCl Y FeCl

    Directory of Open Access Journals (Sweden)

    Almeraya-Calderón, F.

    2012-04-01

    Full Text Available This work shows the results obtained from electrochemical noise measurements for different materials exhibiting pitting corrosion. The transients presented in the potential and current time, correlates with the scanning electron microscopy (SEM surface analysis. Electrochemical measurements were made at different exposure times to obtain the correlation. The materials used were stainless steel austenitic 316 and duplex 2205, immersed in ferric chloride (FeCl3 and sodium chloride (NaCl electrolytes. SEM analysis shows that the transients observed in the time series, really correspond to the activity of pit nucleation developed over the surface of the electrodes.<br>>En este trabajo se muestran los resultados obtenidos de las mediciones de ruido electroquímico para diferentes materiales que exhiben corrosión por picaduras. Los transitorios presentados en las series de tiempo en corriente y en potencial, se correlacionan con el análisis superficial de microscopía electrónica de barrido (MEB. Las mediciones electroquímicas fueron realizadas a diferentes tiempos de exposición, para obtener una correlación. Los materiales usados fueron los aceros inoxidables 316 y dúplex 2205, inmersos en cloruro férrico (FeCl3 y cloruro de sodio (NaCl como electrolitos. Los análisis por MEB, muestran que los transitorios observados en las series de tiempo, corresponden realmente con la actividad de la nucleación de picaduras desarrollada sobre la superficie de los electrodos.

  20. Brändi-imagon kirkastaminen sosiaalisen median avulla : Case Helin Matkat

    OpenAIRE

    Vilmi, Henna; Kärkkäinen, Tanja

    2014-01-01

    Opinnäytetyön avulla selvitettiin, miten Helin Matkatoimisto Oy voi sosiaalisen median käytön kehityksellä kirkastaa brändi-imagoa, joka syntyy asiakkaiden mielissä. Tavoitteena oli tutkia yrityksen häämatkasegmentin sosiaalisen median käyt-tötottumuksia ja mieltymyksiä, segmentin mielikuvia Helin Matkojen brändistä ja näiden mielikuvien yhdenmukaisuutta yrityksen brändi-identiteetin kanssa. Tutkimus toteutettiin kvantitatiivisena verkkokyselynä Webropolin kautta, ja sitä jaettiin sähköpo...