Determination of the thermal rate coefficient, products, and branching ratios for the reaction of O/+/ /D-2/ with N2

Science.gov (United States)

Torr, D. G.; Torr, M. R.

1980-01-01

Atmosphere Explorer-C satellite measurements are used to determine rate coefficients (RCs) for the following reactions: O(+)(D-2) + N2 yields N2(+) + O (reaction 1), O(+)(D-2) + N2 yields O(+)(S-4) + N2 (reaction 2), and O(+)(D-2) + N2 yields NO(+) + N (reaction 3). Results show the RC for reaction 1 to be 1 (plus 1 or minus 0.5) x 10 to the -10th cu cm per sec, for reaction 2 to be 3 (plus 1 or minus 2) x 10 to the -11th cu cm per sec, and 3 to be less than 5.5 x 10 to the -11th cu cm per sec. It is also found that the reaction of O(+)(D-2) with N2 does not constitute a detectable source of NO(+) ions in the thermosphere.

Chemical effects of (n,2n) reactions on iodate and periodates systems

International Nuclear Information System (INIS)

Mendonca, J.M.A. de.

1975-12-01

The chemical consequences of (n,2n) reactions on cristalline sodium iodate and periodates were investigated measuring the initial yield and the post irradiation thermal annealing yields (90 0 C) of the separated fractions I - , IO 3 - and IO 4 - . NaIO 3 , NaIO 3 .H 2 O and NaIO 4 , Na 4 H 2 IO 6 , Na 4 I 2 O 9 .3H 2 O containing 127 I and 129 I, or both, were irradiated with 14 MeV neutrons. Results obtained show different effects for each system and that 126 I and 128 I isotopes keep the same behaviour in the irradiated compounds containing only α 127 I or 129 I and in compounds having both 127 I and 129 I. Neither isotope effect nor qualitative differences on thermal annealing at 90 0 C were observed. The annealed fractions in the three studied periodates were IO - 3 and IO - 4 . These results differ from the ones reported previously for (n,γ) reactions on the same compounds [pt

Cross-sections of 45Sc(n,2n)44m,gSc reaction from the reaction threshold to 20 MeV

International Nuclear Information System (INIS)

Luo, J.; Peking Univ., Beijing; Liu, R.; Jiang, L.; Liu, Z.; Sun, G.; Ge, S.

2013-01-01

Cross sections of 45 Sc(n,2n) 44m,g Sc reactions and their isomeric cross section ratios σ m /σ g have been measured at three neutron energies between 13.5 and 14.8 MeV using the activation technique. The pure cross section of the groundstate was then obtained by utilizing the absolute cross section of the metastable state and analysis methods of residual nuclear decay. The monoenergetic neutron beam was produced via the 3 H(d, n) 4 He reaction. The cross sections were also estimated with the TALYS-1.2 nuclear model code using different level density options, at neutron energies varying from the reaction threshold to 20 MeV. Results are also discussed and compared with some corresponding values found in the literature. (orig.)

Matrix isolation infrared spectra of O2 and N2 insertion reactions with atomic uranium

International Nuclear Information System (INIS)

Hunt, R.D.; Toth, L.M.; Yustein, J.T.; Andrews, L.

1993-01-01

Laser ablation of refractory metals can be an effective source of vapor for matrix isolation IR studies. This combination of techniques was used for the first time to study the mechanisms of U vapor reactions with atmospheric components. U atoms and O 2 were codeposited with excess Ar at 12 K. The dominant codeposition products were UO 2 and UO 3 . In contrast, the UO yield was always small because UO 2 is formed by an insertion mechanism. This mechanism was verified in the 16 O 2 / 18 O 2 experiments which failed to produce 16 OU 18 O. The effects of UV photolysis and matrix annealings were also examined. The U atoms and O 2 reaction requires little or no activation energy since UO 2 was formed from cold reagents. New charge-transfer species, (UO 2+ 2 )(O 2- 2 ) and (UO + 2 )(O - 2 ), and a weak complex, UO 3 --O 2 , were primarily produced under conditions which favored further O 2 reactions. Similar U atom and N 2 experiments produced only linear NUN which is also produced by an insertion mechanism. This U reaction represents the first time that atom was observed breaking and inserting into the triple bond of N 2 . Photolysis dramatically increased the NUN yield by 3-fold. Matrix annealings produced weak UN 2 --N 2 and UN 2 --2N 2 complexes

Matrix isolation infrared spectra of O2 and N2 insertion reactions with atomic uranium

Science.gov (United States)

Hunt, Rodney D.; Toth, L. Mac; Yustein, Jason T.; Andrews, Lester

1993-10-01

Laser ablation of refractory metals can be an effective source of vapor for matrix isolation IR studies. This combination of techniques was used for the first time to study the mechanisms of U vapor reactions with atmospheric components. U atoms and O2 were codeposited with excess Ar at 12 K. The dominant codeposition products were UO2 and UO3. In contrast, the UO yield was always small because UO2 is formed by an insertion mechanism. This mechanism was verified in the 16O2/18O2 experiments which failed to produce 16OU18O. The effects of UV photolysis and matrix annealings were also examined. The U atoms and O2 reaction requires little or no activation energy since UO2 was formed from cold reagents. New charge-transfer species, (UO2+2)(O2-2) and (UO+2)(O-2), and a weak complex, UO3-O2, were primarily produced under conditions which favored further O2 reactions. Similar U atom and N2 experiments produced only linear NUN which is also produced by an insertion mechanism. This U reaction represents the first time that atom was observed breaking and inserting into the triple bond of N2. Photolysis dramatically increased the NUN yield by 3-fold. Matrix annealings produced weak UN2-N2 and UN2-2N2 complexes.

Surprisingly Different Reaction Behavior of Alkali and Alkaline Earth Metal Bis(trimethylsilyl)amides toward Bulky N-(2-Pyridylethyl)-N'-(2,6-diisopropylphenyl)pivalamidine.

Science.gov (United States)

Kalden, Diana; Oberheide, Ansgar; Loh, Claas; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias

2016-07-25

N-(2,6-Diisopropylphenyl)-N'-(2-pyridylethyl)pivalamidine (Dipp-N=C(tBu)-N(H)-C2 H4 -Py) (1), reacts with metalation reagents of lithium, magnesium, calcium, and strontium to give the corresponding pivalamidinates [(tmeda)Li{Dipp-N=C(tBu)-N-C2 H4 -Py}] (6), [Mg{Dipp-N=C(tBu)-N-C2 H4 -Py}2 ] (3), and heteroleptic [{(Me3 Si)2 N}Ae{Dipp-N=C(tBu)-N-C2 H4 -Py}], with Ae being Ca (2 a) and Sr (2 b). In contrast to this straightforward deprotonation of the amidine units, the reaction of 1 with the bis(trimethylsilyl)amides of sodium or potassium unexpectedly leads to a β-metalation and an immediate deamidation reaction yielding [(thf)2 Na{Dipp-N=C(tBu)-N(H)}] (4 a) or [(thf)2 K{Dipp-N=C(tBu)-N(H)}] (4 b), respectively, as well as 2-vinylpyridine in both cases. The lithium derivative shows a similar reaction behavior to the alkaline earth metal congeners, underlining the diagonal relationship in the periodic table. Protonation of 4 a or the metathesis reaction of 4 b with CaI2 in tetrahydrofuran yields N-(2,6-diisopropylphenyl)pivalamidine (Dipp-N=C(tBu)-NH2 ) (5), or [(thf)4 Ca{Dipp-N=C(tBu)-N(H)}2 ] (7), respectively. The reaction of AN(SiMe3 )2 (A=Na, K) with less bulky formamidine Dipp-N=C(H)-N(H)-C2 H4 -Py (8) leads to deprotonation of the amidine functionality, and [(thf)Na{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 a) or [(thf)K{Dipp-N=C(H)-N-C2 H4 -Py}]2 (9 b), respectively, are isolated as dinuclear complexes. From these experiments it is obvious, that β-metalation/deamidation of N-(2-pyridylethyl)amidines requires bases with soft metal ions and also steric pressure. The isomeric forms of all compounds are verified by single-crystal X-ray structure analysis and are maintained in solution. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An integral experiment on thorium oxide/depleted uranium cylinders with D-T neutrons for 232Th(n, 2n) reaction

International Nuclear Information System (INIS)

Feng, S.; Yang, Y.W.; Lu, X.X.; Liu, R.; Jiang, L.; Zhu, T.H.; Wang, M.; Qin, J.G.

2015-01-01

Highlights: • An integral experiment for 232 Th(n, 2n) reaction was carried out on the newly-established ThO 2 /depleted uranium cylinders. • 232 Th(n, 2n) reaction rate distribution was obtained in the assemblies with an uncertainty of about 7%. • Experiments were analyzed by MCNP code with ENDF/B-VI.8, ENDF/B-VII.0, JENDL-4.0 and CENDL-3.1 libraries. • Experimental results could be used to re-evaluate the cross sections of 232 Th(n, 2n) reaction. - Abstract: In order to verify the evaluated cross sections of 232 Th(n, 2n) reaction for the conceptual design of the thorium based subcritical blanket in the fusion–fission hybrid reactor, an integral experiment on thorium oxide/depleted uranium cylinders was carried out with D-T neutrons using the activation technique. 232 Th(n, 2n) reaction rate distribution was obtained at the central axis direction in the assemblies with an uncertainty of about 7%. Experiments were analyzed by using MCNP code with ENDF/B-VI.8, ENDF/B-VII.0, JENDL-4.0 and CENDL-3.1 libraries to validate the nuclear data libraries of 232 Th(n, 2n) reaction, the calculated results with JENDL-4.0 agree with the measurements the best with discrepancies within the experimental uncertainty. The average values of C/E for the three benchmark assemblies are 1.058, 1.044 and 0.980. Calculations with different evaluated libraries in the benchmark assemblies show a large discrepancy. The experimental results can be used to re-evaluate the cross sections of the 232 Th(n, 2n) reaction

The periodic table and the intrinsic barrier in s(n)2 reactions.

Science.gov (United States)

Yi, Ren; Basch, Harold; Hoz, Shmaryahu

2002-08-23

The identity S(N)2 reactions on nitrogen (see eq 3) with nucleophiles having the general structure H(n)()X(-) where X belongs to the group of nonmetallic elements which do not border the line separating them from the metallic elements (X = F, Cl, Br, I, O, S, Se, N, P, and C) were studied at the G2+ level. The results show that, similarly to the previously observed phenomenon for S(N)2 reaction on carbon (J. Am. Chem. Soc. 1999, 121, 7724), the Periodic Table, through the valence of the element X, controls the intrinsic barrier for the reaction. The average intrinsic barriers obtained for nitrogen substrates were 20, 27, 39, and 57 kcal/mol for the mono-, di-, tri-, and tetravalent X's, respectively. It is also concluded that the intrinsic barriers are similar for N- and C-based substrates and dimethyl substitution on both raises the intrinsic barrier by ca. 10 kcal/mol.

Measurement of formation cross-section of 99Mo from the 98Mo(n,γ) and 100Mo(n,2n) reactions.

Science.gov (United States)

Badwar, Sylvia; Ghosh, Reetuparna; Lawriniang, Bioletty M; Vansola, Vibha; Sheela, Y S; Naik, Haladhara; Naik, Yeshwant; Suryanarayana, Saraswatula V; Jyrwa, Betylda; Ganesan, Srinivasan

2017-11-01

The formation cross-section of medical isotope 99 Mo from the 98 Mo(n,γ) reaction at the neutron energy of 0.025eV and from the 100 Mo(n,2n) reaction at the neutron energies of 11.9 and 15.75MeV have been determined by using activation and off-line γ-ray spectrometric technique. The thermal neutron energy of 0.025eV was used from the reactor critical facility at BARC, Mumbai, whereas the average neutron energies of 11.9 and 15.75MeV were generated using 7 Li(p,n) reaction in the Pelletron facility at TIFR, Mumbai. The experimentally determined cross-sections were compared with the evaluated nuclear data libraries of ENDF/B-VII.1, CENDL-3.1, JENDL-4.0 and JEFF-3.2 and are found to be in close agreement. The 100 Mo(n,2n) 99 Mo reaction cross-sections were also calculated theoretically by using TALYS-1.8 and EMPIRE-3.2 computer codes and compared with the experimental data. Copyright © 2017 Elsevier Ltd. All rights reserved.

Modeling of Chemical Reactions in Afterburning for the Reduction of N2O

DEFF Research Database (Denmark)

Gustavsson, Lennart; Glarborg, Peter; Leckner, Bo

1996-01-01

Full scale tests in a 12 MW fluidized bed combustor on reduction of N2O by secondary fuel injection are analyzed in terms a model that involves a detailed reaction mechanism for the gas phase chemistry as well as a description of gas-solid reactions.......Full scale tests in a 12 MW fluidized bed combustor on reduction of N2O by secondary fuel injection are analyzed in terms a model that involves a detailed reaction mechanism for the gas phase chemistry as well as a description of gas-solid reactions....

Investigation of (n, 2n) reaction and fission rates in iron-shielded uranium samples bombarded by 14.9 MeV neutrons

International Nuclear Information System (INIS)

Shani, G.

1976-01-01

The effect of the thickness of iron shielding on the (n, 2n) reaction rate in a fusion reactor (hybrid) blanket is investigated. The results are compared with the fission rate-dependence. Samples of natural uranium are irradiated with 14 MeV neutrons, with iron slabs of various thickness between the neutron generator target and the samples. Both reactions are threshold reactions but the fact that the 238 U (n, 2n) reaction threshold is at 6 MeV and that of fission is at 2 MeV makes the ratio between the two very much geometry-dependent. Two geometrical effects take place, the 1/r 2 and the build-up. While the build-up affects the (n, 2n) reaction rate, the fission rate is affected more by the 1/r 2 effect. The reason is that both elastic and inelastic scattering end up with neutrons with energy above fission threshold, while only elastic scattering brings high energy neutrons to the sample and causes (n, 2n) reaction. A comparison is made with calculated results where the geometrical effects do not exist. (author)

Re-evaluation of microscopic and integral cross-section data for important dosimetry reactions. Re-evaluation of the excitation functions for the 24Mg(n,p)24Na, 32S(n,p)32P, 60Ni(n,p)60m+gCo, 63Cu(n,2n)62Cu, 65Cu(n,2n)64Cu, 64Zn(n,p)64Cu, 115In(n,2n)114mIn, 127I(n,2n)126I, 197Au(n,2n)196Au and 199Hg(n,n')199mHg reactions

International Nuclear Information System (INIS)

Zolotarev, K.I.

2008-08-01

Re-evaluations of cross sections and their associated covariance matrices have been carried out for ten dosimetry reactions: - excitation functions for the 63 Cu(n,2n) 62 Cu, 65 Cu(n,2n) 64 Cu, 64 Zn(n,p) 64 Cu, 115 In(n,2n) 114m In and 199 Hg(n,n') 199m Hg reactions were re-evaluated over the neutron energy range from threshold to 20 MeV; - excitation functions for the 24 Mg(n,p) 24 Na, 32 S(n,p) 32 P and 60 Ni(n,p) 60m+g Co were reevaluated in the energy range from threshold to 21 MeV; - excitation functions for the 127 I(n,2n) 126 I and 197 Au(n,2n) 196 Au reactions were reevaluated in the energy range from threshold to 32 and 40 MeV, respectively. Benchmark calculations performed for 235 U thermal fission and 252 Cf spontaneous fission neutron spectra show that the integral cross sections derived from the newly evaluated excitation functions exhibit improved agreement with related experimental data when compared with the equivalent data from the IRDF-2002 library. (author)

Calculation and evaluation of the activation cross sections for 187Re(n,2n)186m,gRe reactions

International Nuclear Information System (INIS)

Huang Xiaolong; Lu Hanlin; Zhou Chunmei

1998-01-01

The activation cross sections for 187 Re(n,2n) 186m,g Re reactions are calculated using UNF code. The calculations are in good agreement with the re-evaluated measured data. Finally the excitation function for 187 Re(n,2n) 186m,g Re reactions are evaluated and recommended based on present calculations and evaluated decay data

Energy dependence of the reaction rate constants of Ar+, Ar++ and N2+ ions with Cl2

International Nuclear Information System (INIS)

Lukac, P.; Holubcik, L.; Morva, I.; Lindinger, W.

2002-01-01

Dry etching processes using low temperature plasmas in Cl 2 and in Cl 2 -noble gas or nitrogen mixtures are common in the manufacture of semiconductor devices, but their chemical mechanisms are often poorly understood. Results are given for the reaction rate constant measurements of Ar + , Ar ++ , N 2 + ions with chlorine as a function of mean relative kinetic energy. The experiments were performed by using the innsbruck flow drift tube (IFDT) apparatus. Measurements were done at various E/N values, where E is the electric field strength and N the buffer gas density in the drift section. The mean relative kinetic energy KE CM between the ions and the neutral chlorine Cl 2 was calculated using the Wanniers formula. It was found that The N 2 + , Ar + and Ar ++ positive ions react with chlorine Cl 2 very fast and the corresponding reaction rate coefficients depend on the mean relative kinetic energy. For the reaction of Ar - with Cl 2 , its reaction coefficient depends also on the buffer gas. It can imply the enhancement of Cl 2 + ions during etching of Si in the Ar/Cl 2 mixtures. (nevyjel)

Evaluation excitation functions for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si, and "1"1"3In(n,γ)"1"1"4"mIn reactions

International Nuclear Information System (INIS)

Zolotarev, K.I.

2014-10-01

Cross section data for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions are needed for solving a wide spectrum of scientific and technical tasks. The excitation function of "2"8Si(n,p)"2"8Al reaction refers to the nuclear data involved in fusion reactor design calculations. The "2"8Si(n,p)"2"8Al reaction is interesting also as the monitor reaction for measurements at fusion facilities. Activation detectors on the basis of the 31P(n,p)31Si reaction are commonly used in the reactor dosimetry. The "1"1"3In(n,γ)"1"1"4"mIn reaction is promising regarding reactor dosimetry application for two reasons. First, due to the "1"1"4"mIn decay parameters which are rather suitable for activation measurements. Half-life of "1"1"4"mIn is equal to T_1/_2 = (49.51 ± 0.01) days and gamma spectrum accompanying decay has only one line with energy 190.27 keV and intensity (15.56 ± 0.15)%. Second, the "1"1"3In(n,γ)"1"1"4"mIn reaction rate may be measured by using one activation detector simultaneously with the "1"1"5In(n,γ)"1"1"6"mIn reaction. Preliminary analysis of existing evaluated excitation functions for "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions show that new evaluations are needed for all above mentioned reactions. This report is devoted to the preparation of the new evaluations of cross sections data and related covariance matrixes of uncertainties for the "2"8Si(n,p)"2"8Al, "3"1P(n,p)"3"1Si and "1"1"3In(n,γ)"1"1"4"mIn reactions.

Cross-sections of {sup 45}Sc(n,2n){sup 44m,g}Sc reaction from the reaction threshold to 20 MeV

Energy Technology Data Exchange (ETDEWEB)

Luo, J. [Hexi Univ., Zhangye (China). School of Physics and Electromechanical Engineering; Peking Univ., Beijing (China). State Key Laboratory of Nuclear Physics and Technology; Liu, R.; Jiang, L. [Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Nuclear Physics and Chemistry; Liu, Z.; Sun, G.; Ge, S. [Hexi Univ., Zhangye (China). School of Physics and Electromechanical Engineering

2013-07-01

Cross sections of {sup 45}Sc(n,2n){sup 44m,g}Sc reactions and their isomeric cross section ratios {sigma}{sub m}/{sigma}{sub g} have been measured at three neutron energies between 13.5 and 14.8 MeV using the activation technique. The pure cross section of the groundstate was then obtained by utilizing the absolute cross section of the metastable state and analysis methods of residual nuclear decay. The monoenergetic neutron beam was produced via the {sup 3}H(d, n){sup 4}He reaction. The cross sections were also estimated with the TALYS-1.2 nuclear model code using different level density options, at neutron energies varying from the reaction threshold to 20 MeV. Results are also discussed and compared with some corresponding values found in the literature. (orig.)

N{sub 2}O + SO{sub 2} reaction over Si- and C-doped boron nitride nanotubes: A comparative DFT study

Energy Technology Data Exchange (ETDEWEB)

Esrafili, Mehdi D., E-mail: esrafili@maragheh.ac.ir; Saeidi, Nasibeh

2017-05-01

Highlights: • The mechanisms of N{sub 2}O + SO{sub 2} reaction are investigated over Si- and C-doped BNNTs. • Both Si- and C-doped BNNTs can be used as an efficient catalyst for the N{sub 2}O + SO{sub 2} reaction. • The 2N{sub 2}O → O{sub 2} + N{sub 2} reaction needs a large activation energy over both surfaces. - Abstract: Density functional theory calculations are performed to investigate the mechanisms of N{sub 2}O reduction by SO{sub 2} over Si- and C-doped (6,0) boron nitride nanotubes (BNNTs). According to our results, the Si or C adatom can be strongly stabilized over the vacancy defect of the BNNT. The adsorption energy of Si and C atoms over defective BNNT is calculated to be −297.3 and −333.7 kcal/mol, respectively, indicating a strong interaction between these dopant atoms and the tube surface. The N{sub 2}O reduction reaction includes the decomposition of N{sub 2}O (i.e. N{sub 2}O → N{sub 2} + O*), followed by the reduction of O* by SO{sub 2} molecule (i.e. SO{sub 2} + O* → SO{sub 3}). The calculated energy barrier of the SO{sub 2} + O* → SO{sub 3} reaction on Si- and C-doped BNNTs is 2.4 and 5.4 kcal/mol, respectively. Moreover, the effects of tube diameter and length on the N{sub 2}O reduction are studied in detail. The disproportionation of N{sub 2}O molecules (2N{sub 2}O → 2N{sub 2} + O{sub 2}) over both surfaces needs a quite large activation energy, which indicates the impossibility of this reaction at ambient condition. The results show that both Si- and C-doped BNNTs can be viewed as an effective green catalyst for the reduction of N{sub 2}O.

Activation cross section and isomeric cross section ratios for the (n ,2 n ) reaction on 153Eu

Science.gov (United States)

Luo, Junhua; Jiang, Li; Li, Suyuan

2017-10-01

The 153Eu(n ,2 n ) m1,m2,g152Eu cross section was measured by means of the activation technique at three neutron energies in the range 13-15 MeV. The quasimonoenergetic neutron beam was formed via the 3H(d ,n ) 4He reaction, in the Pd-300 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The cross section of the population of the second high-spin (8-) isomeric state was measured along with the reaction cross section populating both the ground (3-) and the first isomeric state (0-). Cross sections were also evaluated theoretically using the numerical code TALYS-1.8, with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Energy distribution of neutrons from the (n,2n) reaction in 238U

International Nuclear Information System (INIS)

Misulovin, A.

1978-12-01

Energy distribution of the first and second neutrons from (n,2n) scattering event in 238 U was evaluated according to the consistent compound nucleus model recently proposed by Segev. The law for deriving the energy distribution of secondary neutrons from a (n,2n) scattering event, depends on whether the reaction is considered as a simultaneous emission of two neutrons from one compound nucleus, or a successive emission of neutrons from different compound nuclei. Segev has presented a means of calculating the energy distribution assuming the latter model. The laws presented in the ENDF/B data files suggest the former model. The evaluation was based on inelastic level excitation and evaporation data for 238 U and 237 U. Data was retrieved from ENDF/B files. The evaporation data for 237 U was based on (γ,n) reaction 238 U. The inelastic level excitation data for 237 U was evaluated at the Soreq Nuclear Research Centre. It is concluded from the application of Segev's model to 238 U, that the energetic spectrum of secondary neutrons, is harder in the high range of energy than the one predicted by the use of the distribution law presented in ENDF/B data files. The spectrum of secondary (n,2n) neutrons, resulting from the interaction of 14 MeV neutrons in 238 U calculated with Segev's model, is compared with the corresponding spectrum of the LLL library, ENDF/B library and the recent evaluation of BNWL. It is found that the spectrum evaluated by LLL and BNWL is harder than that evaluated with Segev's model

Isomeric cross-section ratios of some (n,2n) reactions at 14. 7 MeV

Energy Technology Data Exchange (ETDEWEB)

Garg, K C; Khurana, C S [Punjabi Univ., Patiala (India). Nuclear Science Labs.

1979-08-01

Isomeric cross-section ratios of (n,2n) reactions at 14.7 MeV leading to the millisecond isomeric levels have been calculated theoretically using the statistical theory of nuclear reactions and the spin distribution form due to Bethe and Bloch. The theoretical ratios have been compared with the experimentally measured values in order to evaluate the spin cut-off parameter sigma. This parameter has been used to calculate the effective moment of inertia of the nucleus to draw useful conclusions from the results of present calculations.

Measurement of angle-correlated differential (n,2n) reaction cross section with pencil-beam DV neutron source

International Nuclear Information System (INIS)

Takaki, S.; Kondo, K.; Shido, S.; Miyamaru, H.; Murata, I.; Ochiai, Kentaro; Nishitani, Takeo

2006-01-01

Angle-correlated differential cross-section for 9 Be(n,2n) reaction has been measured with the coincidence detection technique and a pencil-beam DT neutron source at FNS, JAEA. Energy spectra of two emitted neutrons were obtained for azimuthal and polar direction independently. It was made clear from the experiment that there are noise signals caused by inter-detector scattering. The ratio of the inter-detector scattering components in the detected signals was estimated by MCNP calculation to correct the measured result. By considering the inter-detector scattering components, the total 9 Be(n,2n) reaction cross-section agreed with the evaluated nuclear data within the experimental error. (author)

Ab initio electron correlated studies on the intracluster reaction of NO+ (H2O)(n) → H3O+ (H2O)(n-2) (HONO) (n = 4 and 5).

Science.gov (United States)

Asada, Toshio; Nagaoka, Masataka; Koseki, Shiro

2011-01-28

Hydrated nitrosonium ion clusters NO(+)(H(2)O)(n) (n = 4 and 5) were investigated by using MP2/aug-cc-pVTZ level of theory to clarify isomeric reaction pathways for formation of HONO and fully hydrated hydride ions. We found some new isomers and transition state structures in each hydration number, whose lowest activation energies of the intracluster reactions were found to be 4.1 and 3.4 kcal mol(-1) for n = 4 and n = 5, respectively. These thermodynamic properties and full quantum mechanical molecular dynamics simulation suggest that product isomers with HONO and fully hydrated hydride ions can be obtained at n = 4 and n = 5 in terms of excess hydration binding energies which can overcome these activation barriers.

Evaluation of cross-section data from threshold to 40-60 MeV for specific neutron reactions important for neutron dosimetry applications. Part 1: Evaluation of the excitation functions for the 27Al(n,α)24Na, 55Mn(n,2n)54Mn, 59Co(n,p)59Fe, 59Co(n,2n)58m+gCo and 90Zr(n,2n)89m+gZr reactions

International Nuclear Information System (INIS)

Zolotarev, K.I.

2009-04-01

Evaluations of cross sections and their associated covariance matrices have been carried out for five dosimetry reactions: - excitation functions were re-evaluated for the 27 Al(n,α) 24 Na, 55 Mn(n,2n) 54 Mn and 90 Zr(n,2n) 89m+g Zr reactions over the neutron energy range from threshold to 40 MeV; - excitation functions were re-evaluated for the 59 Co(n,p) 59 Fe and 59 Co(n,2n) 58m+g Co reactions over the neutron energy range from threshold to 60 MeV. Uncertainties in the cross sections for all of those reactions were also derived in the form of relative covariance matrices. Benchmark calculations performed for 235 U thermal fission and 252 Cf spontaneous fission neutron spectra show that the integral cross sections calculated from the newly evaluated excitation functions exhibit improved agreement with related experimental data when compared with the equivalent data from the IRDF-2002 library. (author)

Activation cross section and isomeric cross-section ratio for the (n,2n) reaction on {sup 132,134}Ba

Energy Technology Data Exchange (ETDEWEB)

Luo, Junhua [Hexi Univ., Zhangye (China). School of Physics and Electromechanical Engineering; Hexi Univ., Zhangye (China). Inst. of New Energy; Wu, Chunlei; Jiang, Li [Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Nuclear Physics and Chemistry; Li, Suyuan [Hexi Univ., Zhangye (China). Inst. of New Energy

2017-07-01

Cross sections of the {sup 132}Ba(n,2n){sup 131m,g}Ba and {sup 134}Ba(n,2n){sup 133m,g}Ba reactions and their isomeric cross section ratios σ{sub m}/σ{sub g} have been measured by means of the activation technique at three neutron energies in the range 13-15 MeV. BaCO{sub 3} samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The quasimonoenergetic neutrons beam were produced via the {sup 3}H(d,n){sup 4}He reaction at the Pd-300 Neutron Generator of the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ ray spectroscopy. The pure cross section of the ground-state was derived from the absolute cross section of the metastable state and the residual nuclear decay analysis. Cross sections were also evaluated theoretically using the numerical nuclear model code, TALYS-1.8 with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Polymer-Bound 3-N,N-(Dimethylamino)-2-isocyanoacrylate for the Synthesis of Thiazoles via a Multicomponent Reaction

NARCIS (Netherlands)

Henkel, Bernd; Westner, Benedikt; Dömling, Alexander

2003-01-01

The synthesis of resin-bound 3-N,N-(dimethylamino)-2-isocyanoacrylate is described. This bifunctional reagent can be used for the synthesis of thiazoles via a multicomponent reaction. Several examples are reported.

Study of consistency between (γ,xn), [(γ,n) (γ,np)] and (γ2n) reaction cross sections using data systematics

International Nuclear Information System (INIS)

Varlamov, V.V.; Ishkhanov, B.S.

2002-08-01

The majority of published data for photoneutron reaction both total and partial cross section data obtained using both bremsstrahlung and quasimonoenergetic photon beams has been analyzed systematically. The last kind data were treated separately for results obtained at USA National Lawrence Livermore Laboratory and at Centre d.Etudes Nucleaires de Saclay (France). It was found out that as a rule total photoneutron reaction cross sections obtained at Livermore differ (being smaller in amplitude) from that of other laboratories. The Saclay-Livermore data discrepancies were analyzed in details. Combined the result of this analysis with that of analysis of partial photoneutron reactions [(γ,n) + (γ,np)] and (γ,2n) cross sections balance between Livermore and Saclay data published before the following recommendation was formulated: for reliable balance of total photoneutron (γ,xn) and partial [(γ,n) + [(γ,np)] and (γ,2n) reactions cross section absolute values the Livermore (not Saclay) data must be used but multiplied to the parameter 1.122. Saclay total reaction data could be used directly but partial reaction data must be recalculated via complex procedure. (author)

Excitation functions of the (pn) and (p,2n) reactions on Cd isotopes. [(pn) and (p,2n) reactions on the sup(110-114,116)Cd

Energy Technology Data Exchange (ETDEWEB)

Skakun, E A; Klyucharev, A P; Rakivnenko, Yu N; Romanij, I A [AN Ukrainskoi SSR, Kiev. Fiziko-Tekhnicheskii Inst.

1975-01-01

Excitation functions of (pn)- and (p,2n)-reactions on /sup 110/-/sup 114/,/sup 116/Cd nuclei are measured in a range of incident proton energy up to 20 MeV. Experimental results are compared to calculated ones.

Experimental study of exclusive $^2$H$(e,e^\\prime p)n$ reaction mechanisms at high $Q^2$

Energy Technology Data Exchange (ETDEWEB)

Kim Egiyan; Gegham Asryan; Nerses Gevorgyan; Keith Griffioen; Jean Laget; Sebastian Kuhn; Gary Adams; Moscov Amaryan; Pawel Ambrozewicz; Marco Anghinolfi; Gerard Audit; Harutyun AVAKIAN; Harutyun Avakian; Hovhannes Baghdasaryan; Nathan Baillie; Jacques Ball; Nathan Baltzell; Steve Barrow; Vitaly Baturin; Marco Battaglieri; Ivan Bedlinski; Ivan Bedlinskiy; Mehmet Bektasoglu; Matthew Bellis; Nawal Benmouna; Barry Berman; Angela Biselli; Lukasz Blaszczyk; Sylvain Bouchigny; Sergey Boyarinov; Robert Bradford; Derek Branford; William Briscoe; William Brooks; Stephen Bueltmann; Volker Burkert; Cornel Butuceanu; John Calarco; Sharon Careccia; Daniel Carman; Antoine Cazes; Shifeng Chen; Philip Cole; Patrick Collins; Philip Coltharp; Dieter Cords; Pietro Corvisiero; Donald Crabb; Volker Crede; John Cummings; Natalya Dashyan; Rita De Masi; Raffaella De Vita; Enzo De Sanctis; Pavel Degtiarenko; Haluk Denizli; Lawrence Dennis; Alexandre Deur; Kahanawita Dharmawardane; Richard Dickson; Chaden Djalali; Gail Dodge; Joseph Donnelly; David Doughty; Michael Dugger; Steven Dytman; Oleksandr Dzyubak; Hovanes Egiyan; Lamiaa Elfassi; Latifa Elouadrhiri; Paul Eugenio; Renee Fatemi; Gleb Fedotov; Gerald Feldman; Robert Feuerbach; Robert Fersch; Michel Garcon; Gagik Gavalian; Gerard Gilfoyle; Kevin Giovanetti; Francois-Xavier Girod; John Goetz; Atilla Gonenc; Christopher Gordon; Ralf Gothe; Michel Guidal; Matthieu Guillo; Hayko Guler; Lei Guo; Vardan Gyurjyan; Cynthia Hadjidakis; Kawtar Hafidi; Hayk Hakobyan; Rafael Hakobyan; Charles Hanretty; John Hardie; F. Hersman; Kenneth Hicks; Ishaq Hleiqawi; Maurik Holtrop; Charles Hyde-Wright; Yordanka Ilieva; David Ireland; Boris Ishkhanov; Eugeny Isupov; Mark Ito; David Jenkins; Hyon-Suk Jo; Kyungseon Joo; Henry Juengst; Narbe Kalantarians; James Kellie; Mahbubul Khandaker; Wooyoung Kim; Andreas Klein; Franz Klein; Alexei Klimenko; Mikhail Kossov; Zebulun Krahn; Laird Kramer; V. Kubarovsky; Joachim Kuhn; Sergey Kuleshov; Jeff Lachniet; Jorn Langheinrich; David Lawrence; Ji Li; Kenneth Livingston; Haiyun Lu; Marion MacCormick; Claude Marchand; Nikolai Markov; Paul Mattione; Simeon McAleer; Bryan McKinnon; John McNabb; Bernhard Mecking; Surik Mehrabyan; Joseph Melone; Mac Mestayer; Curtis Meyer; Tsutomu Mibe; Konstantin Mikhaylov; Ralph Minehart; Marco Mirazita; Rory Miskimen; Viktor Mokeev; Kei Moriya; Steven Morrow; Maryam Moteabbed; James Mueller; Edwin Munevar Espitia; Gordon Mutchler; Pawel Nadel-Turonski; Rakhsha Nasseripour; Silvia Niccolai; Gabriel Niculescu; Maria-Ioana Niculescu; Bogdan Niczyporuk; Megh Niroula; Rustam Niyazov; Mina Nozar; Grant O' Rielly; Mikhail Osipenko; Alexander Ostrovidov; Kijun Park; Evgueni Pasyuk; Craig Paterson; Sergio Pereira; Joshua Pierce; Nikolay Pivnyuk; Dinko Pocanic; Oleg Pogorelko; Sergey Pozdnyakov; Barry Preedom; John Price; Yelena Prok; Dan Protopopescu; Brian Raue; Gregory Riccardi; Giovanni Ricco; Marco Ripani; Barry Ritchie; Federico Ronchetti; Guenther Rosner; Patrizia Rossi; Franck Sabatie; Julian Salamanca; Carlos Salgado; Joseph Santoro; Vladimir Sapunenko; Reinhard Schumacher; Vladimir Serov; Youri Sharabian; Nikolay Shvedunov; Alexander Skabelin; Elton Smith; Lee Smith; Daniel Sober; Daria Sokhan; Aleksey Stavinskiy; Samuel Stepanyan; Stepan Stepanyan; Burnham Stokes; Paul Stoler; Steffen Strauch; Mauro Taiuti; David Tedeschi; Ulrike Thoma; Avtandil Tkabladze; Svyatoslav Tkachenko; Luminita Todor; Clarisse Tur; Maurizio Ungaro; Michael Vineyard; Alexander Vlassov; Daniel Watts; Lawrence Weinstein; Dennis Weygand; M. Williams; Elliott Wolin; Michael Wood; Amrit Yegneswaran; Lorenzo Zana; Jixie Zhang; Bo Zhao; Zhiwen Zhao

2007-06-01

The reaction {sup 2}H(e,e{prime} p)n has been studied with full kinematic coverage for photon virtuality 1.75 < 5.5 {approx} GeV{sup 2}. Comparisons of experimental data with theory indicate that for very low values of neutron recoil momentum (p{sub n} < 100 MeV/c) the neutron is primarily a spectator and the reaction can be described by the plane-wave impulse approximation. For 100 < 750 MeV/c proton-neutron rescattering dominates the cross section, while {Delta} production followed by the N{Delta} {yields} NN transition is the primary contribution at higher momenta.

Reaction theories for N* excitations in πN and γN reactions

International Nuclear Information System (INIS)

Lee, T.S.H.

1996-01-01

The importance of developing reaction theories for investigating N* physics is illustrated in an analysis of pion photoproduction on the nucleon. It is shown that the γN ↔ Δ transition amplitudes predicted by the constituent quark model are in agreement with the values extracted from the γN → πN data only when the contributions from the reaction mechanisms calculated using a dynamical approach are taken into account in the analysis

Evaluation of Some (n,n'), (n,γ), (n,p), (n,2n) and (n,3n) Reaction Excitation Functions for Fission and Fusion Reactor Dosimetry Applications; Evaluation of the Excitation Functions for the 54Fe(n,p)54Mn, 58Ni(n,2n)57Ni, 67Zn(n,p)67Cu, 92Mo(n,p)92mNb, 93Nb(n,γ)94Nb, 113In(n,n')113mIn, 115In(n,γ) 116mIn, and 169Tm(n,3n)167Tm Reactions. Progress Report on Research Contract No 16242

International Nuclear Information System (INIS)

Zolotarev, K.I.; Zolotarev, P.K.

2013-12-01

Cross section data for the 54 Fe(n,p) 54 Mn, 58 Ni(n,2n) 57 Ni, 67 Zn(n,p) 67 Cu, 92 Mo(n,p) 92m Nb, 93 Nb(n,γ) 94 Nb, 113 In(n,n') 113m In, 115 In(n,γ) 116m In, 169 Tm(n,3n) 167 Tm reactions are needed to solve a wide spectrum of scientific and technical tasks. Activation detectors based on these reactions may be used in the field of reactor dosimetry. Furthermore, the 54 Fe(n,p) 54 Mn reaction is often used in experimental nuclear physics as a monitor reaction for measurements of unknown cross sections by means of the activation method over the neutron energy range from 5 to 15 MeV. The 93 Nb(n,γ) 94 Nb reaction is also very promising for using in retrospective neutron dosimetry for determination of total neutron fluence during a campaign of a reactor. In the existing version of the International Reactor Dosimetry File and the new extended version named as IRDFF data for excitation functions of 67 Zn(n,p) 67 Cu, 92 Mo(n,p) 92m Nb, 113 In(n,n') 113m In, and 169 Tm(n,3n) 167 Tm reactions are absent. Data for these reactions are also absent in the JENDL/D-99 dosimetry file. Excitation functions of 67 Zn(n,p) 67 Cu and 169 Tm(n,3n) 167 Tm are presented in the TENDL-2012, EAF-2010, JENDL-4.0, JEFF-3.1/A, MENDL-2 libraries. Cross section data for the 67 Zn(n,p) 67 Cu reaction up to 20 MeV are given also in the JENDL/HE-2007 library. Excitation functions of the 92 Mo(n,p) 92m Nb and 113 In(n,n') 113m In reactions are evaluated in the EAF-2010 and JEFF-3.1/A libraries. Cross section data for the 113 In(n,n') 113m In reaction are given also in the TENDL-2010 library. It is necessary to note that neutron data in the JEFF-3.1/A and JENDL-4.0 libraries were evaluated up to 20 MeV. Neutron data in the TENDL-2012, EAF-2010, MENDL-2 and TENDL-2010 libraries had been evaluated up to 30 MeV, 60 MeV, 100 MeV and 200 MeV, respectively. Neutron cross sections in the MENDL-2, TENDL-2010 and TENDL-2012 libraries had been obtained on the basis of pure theoretical model calculations

A low temperature investigation of the gas-phase N(2D) + NO reaction. Towards a viable source of N(2D) atoms for kinetic studies in astrochemistry.

Science.gov (United States)

Nuñez-Reyes, Dianailys; Hickson, Kevin M

2018-06-18

The gas-phase reaction of metastable atomic nitrogen N(2D) with nitric oxide has been investigated over the 296-50 K temperature range using a supersonic flow reactor. As N(2D) could not be produced photolytically in the present work, these excited state atoms were generated instead through the C(3P) + NO → N(2D) + CO reaction while C(3P) atoms were created in situ by the 266 nm pulsed laser photolysis of CBr4 precursor molecules. The kinetics of N(2D) atoms were followed on-resonance by vacuum ultraviolet laser induced fluorescence at 116.7 nm. The measured rate constants for the N(2D) + NO reaction are in excellent agreement with most of the earlier work at room temperature and represent the only available kinetic data for this process below 296 K. The rate constants are seen to increase slightly as the temperature falls to 100 K with a more substantial increase at even lower temperature; a finding which is not reproduced by theoretical work. The prospects for using this chemical source of N(2D) atoms in future studies of a wide range of N(2D) atom reactions are discussed.

Pd-catalyzed versus uncatalyzed, PhI(OAc)2-mediated cyclization reactions of N6-([1,1'-biaryl]-2-yl)adenine nucleosides.

Science.gov (United States)

Satishkumar, Sakilam; Poudapally, Suresh; Vuram, Prasanna K; Gurram, Venkateshwarlu; Pottabathini, Narender; Sebastian, Dellamol; Yang, Lijia; Pradhan, Padmanava; Lakshman, Mahesh K

2017-11-09

In this work we have assessed reactions of N 6 -([1,1'-biaryl]-2-yl)adenine nucleosides with Pd(OAc) 2 and PhI(OAc) 2 , via a Pd II /Pd IV redox cycle. The substrates are readily obtained by Pd/Xantphos-catalyzed reaction of adenine nucleosides with 2-bromo-1,1'-biaryls. In PhMe, the N 6 -biarylyl nucleosides gave C6-carbazolyl nucleoside analogues by C-N bond formation with the exocyclic N 6 nitrogen atom. In the solvent screening for the Pd-catalyzed reactions, an uncatalyzed process was found to be operational. It was observed that the carbazolyl products could also be obtained in the absence of a metal catalyst by reaction with PhI(OAc) 2 in 1,1,1,3,3,3-hexafluoroisopropanol (HFIP). Thus, under Pd catalysis and in HFIP, reactions proceed to provide carbazolyl nucleoside analogues, with some differences. If reactions of N 6 -biarylyl nucleoside substrates were conducted in MeCN, formation of aryl benzimidazopurinyl nucleoside derivatives was observed in many cases by C-N bond formation with the N 1 ring nitrogen atom of the purine (carbazole and benzimidazole isomers are readily separated by chromatography). Whereas Pd II /Pd IV redox is responsible for carbazole formation under the metal-catalyzed conditions, in HFIP and MeCN radical cations and/or nitrenium ions can be intermediates. An extensive set of radical inhibition experiments was conducted and the data are presented.

The γp → na2+ (1320) → nρ0π+ reactions within an effective Lagrangian approach

International Nuclear Information System (INIS)

Huang, Yin; Xie, Jujun; He, Jun; Chen, Xurong; Zhang, Hongfei

2014-01-01

We investigate the tensor meson a 2 (1320) photon-production off proton in the γp → na 2 + (1320) and γp → nρ 0 π + reactions within the effective Lagrangian approach and isobar model. For γp → na 2 + (1320) reaction, by considering the contributions from only the t-channel π + exchange, we get a fairly good description of the current experimental data for the total cross-section. Based on the theoretical results of the γp → na 2 + (1320) reaction, we studied the role of a 2 (1320) meson in the γp → nρ 0 π + reaction, which mainly contributes to the γp → nπ + π + π - reaction. The latter reaction has been measured by the CLAS Collaboration at the photon energy E γ around 5.1 GeV. For the γp → nρ 0 π + reaction, we pay attention to the low photon energy region where the contribution from a 2 (1320) meson is dominant, while the contribution from the π 2 (1670) meson could be very small and hence can be neglected. The total cross-sections, invariant mass distribution and the Dalitz plot of γp → nρ 0 π + reaction are shown, which can be tested by future experiments. (author)

Measurements of the (n,2n) Reaction Cross Section of 181Ta from 8 to 15 MeV

Science.gov (United States)

Bhatia, C.; Gooden, M. E.; Tornow, W.; Tonchev, A. P.

2014-05-01

The cross section for the reaction 181Ta(n,2n)180Tag was measured from 8 to 15 MeV in small energy steps to resolve inconsistencies in the existing databases. The activation technique was used, and the 93.4 keV γ-ray from the decay of the 180Tag ground state was recorded with a HPGe detector. In addition, the γ-rays from the monitor reactions 27Al(n,α)24Na and 197Au(n,2n)196Au were measured for neutron fluence determination. As a cross check, a calibrated neutron detector was also used. The ENDF/B-VII.1 and TENDL-2011 evaluations are in considerable disagreement with the present data, which in turn agree very well with the majority of the existing data in the 14 MeV energy region.

Reactions of O(+) With C(n)H(2n+2), n=2-4: A Guided-Ion Beam Study

National Research Council Canada - National Science Library

Levandier, D

2004-01-01

We have measured absolute reaction cross sections for the interaction of 0+ with ethane, propane, and n-butane at collision energies in the range from near thermal to approximately 20 eV, using the guided-ion beam (GIB) technique...

Ab initio studies on the reaction of O2 with Ban (n=2,5) clusters

International Nuclear Information System (INIS)

Li, S.F.; Xue Xinlian; Chen, G.; Yuan, D.W.; Jia Yu; Gong, X.G.

2006-01-01

Ab initio theoretical calculations have been performed to study the reaction of O 2 with Ba n (n=2,5) clusters. Our results show that O 2 can easily chemisorb and dissociate on small Ba n clusters and there is no obvious energy barrier in the process of the dissociation. The local magnetic moment contributed by oxygen must vanish during the intermediate states before the O 2 dissociation. Correspondingly, local magnetic moment only decreases from 2μ B to about 1μ B if O 2 molecularly adsorbs onto Ba 5 cluster. The electronic structure analysis indicates that the charge transfer from Ba n cluster to O 2 as well as the orbital hybridization between the cluster and the oxygen molecule may play a key role in O 2 dissociation

A study of rates of (n, f), (n, γ), and (n, 2n) reactions in natU and 232Th produced by the neutron fluence in the graphite set-up (gamma-3) irradiated by 2.33 GeV deuteron beam

International Nuclear Information System (INIS)

Adam, J.; Chitra Bhatia; Katovskij, K.

2011-01-01

Spallation neutrons produced in a collision of 2.33 GeV deuteron beam with the large lead target are moderated by the thick graphite block surrounding the target and used to activate the radioactive samples of nat U and Th put at the three different positions, identified as holes 'a', 'b' and 'c' in the graphite block. Rates of the (n, f), (n, γ), and (n, 2n) reactions in the two samples are determined using the gamma spectrometry. Ratio of the experimental reaction rates, R(n, 2n)/R(n, f) for the 232 Th and nat U are estimated in order to understand the role of reactions of (n, xn) type in Accelerator Driven Subcritical Systems. For the Th-sample, the ratio is ∼ 54(10)% in case of hole 'a' and ∼ 95(57)% in case of hole 'b' compared to 1.73(20)% for the hole 'a' and 0.710(9)% for the hole 'b' in case of the nat U sample. Also the ratio of fission rates in uranium to thorium, nat U(n, f)/ 232 Th(n, f), is ∼ 11.2(17) in case of hole 'a' and 26.8(85) in hole 'b'. Similarly, ratio 238 U(n, 2n)/ 232 Th(n, 2n) is 0.36(4) for the hole 'a' and 0.20(10) for the hole 'b' showing that 232 Th is more prone to the (n, xn) reaction than 238 U. All the experimental reaction rates are compared with the simulated ones by generating neutron fluxes at the three holes from MCNPX 2.6c and making use of LA150 library of cross sections. The experimental and calculated rates of all the three reactions are in good agreement. The transmutation power of the set-up is estimated using the rates of (n, γ) and (n, 2n) reactions for both the samples in the three holes and compared with some of the results of the 'Energy plus Transmutation' set-up and TARC experiment

40 CFR 721.9672 - Amides, tall-oil fatty, N-[2-[2-hydroxyethyl)amino]ethyl], reaction products with sulfur dioxide...

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Amides, tall-oil fatty, N-[2-[2... Significant New Uses for Specific Chemical Substances § 721.9672 Amides, tall-oil fatty, N-[2-[2-hydroxyethyl... identified as amides, tall-oil fatty, N-[2-[2-hydroxyethyl)amino]ethyl], reaction products with sulfur...

Evaluation of the 46Ti(n,2n)45Ti and 54Fe(n,2n)53m+gFe reaction cross sections for neutron dosimetry in fusion facilities

International Nuclear Information System (INIS)

Badikov, S.A.; Ignatyuk, A.V.; Zolotarev, K.I.; Pashchenko, A.B.

1993-11-01

The reaction cross-sections of 46 Ti(n,2n) 45 Ti and 54 Fe(n,2n) 53m+g Fe, which are important for fusion reactor neutron dosimetry, were evaluated using a generalized least squares method. The experimental cross-section data of all measurements performed up to January 1993, were critically reviewed. The evaluated cross-section data are presented in analytical form and in ENDF-6 format, including covariance data. (author)

Contribution to the study of πN → π1π2N reactions with creation of an intermediate N*3/2(1236) isobar from 0.4 to 1.5 GeV

International Nuclear Information System (INIS)

Merlo, J.P.

1976-01-01

The one pion production reaction π + p → π + pπ 0 has been studied up to 1.5 GeV. The π 0 angular distribution measured by counter techniques has been compared to bubble chamber data. Angular distributions are interpreted in the hypothesis of formation of the intermediate N * 3/2 (1236) isobar. Angular distributions for isobar production and decay in one pion production reactions πN → π 1 N * (N * → π 2 N], are calculated in chapter II. π + p → π + pπ 0 experimental results are reported and analyzed in chapter III. An estimation of the pion-isobar partial wave amplitudes in reaction π + p → π 0 N *++ 3/2 (1236) has been tempted. Comparison with π + p phase shift analyses is made. Bubble chamber data for π - p → π - π + n channel are presented at the end of chapter III. (author) [fr

Calculations for the excitation functions of the 63Cup, n63Zn, 63Cup, 2n62Zn and 65Cup, n65Zn reactions

International Nuclear Information System (INIS)

Gul, K.

2001-01-01

Calculations for the excitation functions of 63 Cup, n 63 Zn, 63 Cup, 2n 62 Zn and 65 Cup, n 65 Zn reactions have been carried out in 3-30 MeV energy range using statistical and pre-equilibrium nuclear reaction models. The calculations have been compared with reported measurements and discussed

Double time-of-flight fast neutron spectrometry and study of the reaction Be{sup 9}(n,2n); Spectrometrie de neutrons rapides a double temps de vol et etude de la reaction Be{sup 9}(n,2n)

Energy Technology Data Exchange (ETDEWEB)

Gondrand, J C [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1964-10-01

The interaction between 14,5 MeV neutrons and Be{sup 9} was studied by a double time-of-flight method. The energy E{sub 1} and E{sub 2} of the (n,2n) reaction was measured (over all resolution 2 ns, flight path 1,50 m), the two neutrons being in the same plane with incident neutron and the scattering angle 30 degrees (angular resolution 3 degrees): 310 (n,2n) events were identified by electronic method (with photographic control) and by the kinematics (430 'back-ground' events, 1.3*10{sup 11} incident neutrons, one (n,2n) event per hour) corresponding principally (> 90 per cent) to the formation of resonant states between 4 particles (2 {alpha} and 2 neutrons) of the final state: Be{sup 8}(0) {sigma} {approx_equal} 170 mb, Be{sup 8*} (2,9 MeV) {sigma} {approx_equal} 165 mb, Be{sup 9*} (6,76 MeV) Be{sup 8}(0) {sigma} {approx_equal} 95 mb. (author) [French] La reaction Be{sup 9}(n,2n) a ete etudiee avec des neutrons de 14,5 MeV. On a mesure simultanement l'energie E{sub 1} et E{sub 2} par deux temps-de-vol (base-de-vol 1,50 m, resolution totale 2 ns), les deux neutrons etant dans le meme plan de diffusion et a 30 degres du neutron incident (resolution angulaire 3): 310 evenements (n,2n) ont ete identifies a l'aide de criteres electroniques (controles par methode photographique) et de criteres cinematiques (430 evenements parasites et fortuits, 1,3.10{sup 11} neutrons incidents, un evenement reel par heure) et sont principalement (> 90 pour cent) groupes en amas dans un diagramme type Dalitz (plan E{sub 1} E{sub 2}) correspondant aux etats resonnants: Be{sup 8}(0) {sigma} {approx_equal} 170 mb, Be{sup 8*} (2,9 MeV) {sigma} {approx_equal} 165 mb, Be{sup 9*} (6,76 MeV) Be{sup 8}(0) {sigma} {approx_equal} 95 mb.

Activation analysis of thallium in urine using the 203Tl(n,2n) 202Tl reaction

International Nuclear Information System (INIS)

Korob, R.O.; Cohen, I.M.; Lage, M.; Baro, G.B.

1976-04-01

The method developed by the authors of thallium determination in human urine, based on the 203 Tl(n,2n) 202 Tl reaction followed by chemical separation and measurement of the produced 202 Tl by gamma spectrometry, is described. Its application in some cases of intoxication by thallium is reported. The advantages and limitations of the described technique are discussed. (author) [es

Exploring the dynamics of reaction N((2)D)+C2H4 with crossed molecular-beam experiments and quantum-chemical calculations.

Science.gov (United States)

Lee, Shih-Huang; Chin, Chih-Hao; Chen, Wei-Kan; Huang, Wen-Jian; Hsieh, Chu-Chun

2011-05-14

We conducted the title reaction using a crossed molecular-beam apparatus, quantum-chemical calculations, and RRKM calculations. Synchrotron radiation from an undulator served to ionize selectively reaction products by advantage of negligibly small dissociative ionization. We observed two products with gross formula C(2)H(3)N and C(2)H(2)N associated with loss of one and two hydrogen atoms, respectively. Measurements of kinetic-energy distributions, angular distributions, low-resolution photoionization spectra, and branching ratios of the two products were carried out. Furthermore, we evaluated total branching ratios of various exit channels using RRKM calculations based on the potential-energy surface of reaction N((2)D)+C(2)H(4) established with the method CCSD(T)/6-311+G(3df,2p)//B3LYP/6-311G(d,p)+ZPE[B3LYP/6-311G(d,p)]. The combination of experimental and computational results allows us to reveal the reaction dynamics. The N((2)D) atom adds to the C=C π-bond of ethene (C(2)H(4)) to form a cyclic complex c-CH(2)(N)CH(2) that directly ejects a hydrogen atom or rearranges to other intermediates followed by elimination of a hydrogen atom to produce C(2)H(3)N; c-CH(2)(N)CH+H is the dominant product channel. Subsequently, most C(2)H(3)N radicals, notably c-CH(2)(N)CH, further decompose to CH(2)CN+H. This work provides results and explanations different from the previous work of Balucani et al. [J. Phys. Chem. A, 2000, 104, 5655], indicating that selective photoionization with synchrotron radiation as an ionization source is a good choice in chemical dynamics research.

Measurement of the cross sections for the 238U(n,2n) and 232Th(n,2n) reactions in the 13.5 - 14.8 MeV energy range

International Nuclear Information System (INIS)

Raics, P.; Nagy, S.; Daroczy, S.; Kornilov, N.V.

1990-10-01

(n,2n) reaction cross sections have been determined for 238 U and 232 Th by using the activation method. Neutrons were produced in D-T reaction by bombarding a TiT target with analyzed deuteron beam from a Cockcroft-Walton accelerator. Neutron energy was varied by changing the emission angle to the deuteron beam. The activities of the 237 U and 231 Th residual nuclei were measured by a Ge(Li) and a HP Ge gamma-spectrometer, respectively. Several standard reactions were used for the determination of the neutron flux density. An overall precision of 3.5 - 4.5% was estimated and a 1.4 - 3.5% reproducibility was achieved. Comparison of the recent results to literature data and a brief analysis of the monitor reactions are given. (author). 48 refs, 3 figs, 7 tabs

Statistical model calculation of fission isomer excitation functions in (n,n') and (n,γ) reactions

International Nuclear Information System (INIS)

Chatterjee, A.; Athougies, A.L.; Mehta, M.K.

1977-01-01

A statistical model developed by Britt and others (1971, 1973) to analyze isomer excitation functions in spallation type reactions like (α,2n) has been adopted in fission isomer calculations for (n,n') and (n,γ) reactions. Calculations done for 235 U(n,n')sup(238m)U and 235 U(n,γ)sup(236m)U reactions have been compared with experimental measurements. A listing of the computer program ISOMER using FORTRAN IV to calculate the isomer to prompt ratios is given. (M.G.B.)

The 2H(e, e' p)n reaction at large energy transfers

NARCIS (Netherlands)

Willering, Hendrik Willem

2003-01-01

At the ELSA accelerator facillity in Bonn, Germany, we have measured the deutron "breakup" reaction 2H(e,e' p)n at four-momentum transfers around Q2 = -0 .20(GeV/c)2 with an electron beam energy of E0 = 1.6 GeV. The cross section has been determined for energy transfers extending from the

Kinetic study of Ca({sup 1}S) + N{sub 2}O and Sr({sup 1}S) + N{sub 2}O reactions in the temperature ranges of, respectively, 303--1015 and 303--999 K

Energy Technology Data Exchange (ETDEWEB)

Vinckier, C.; Helaers, J.; Remeysen, J. [K.U. Leuven, Heverlee (Belgium). Dept. of Chemistry

1999-07-08

Metal/N{sub 2}O reactions in incinerators may reduce the emission of the greenhouse gas N{sub 2}O. The study of metal atom/N{sub 2}O reactions allows metal atom/N{sub 2}O reactions in the gas phase to be very exothermic, leading to product molecules being formed in an electronic excited state. When the metal oxides fall back to lower lying states, an intense chemiluminescence can occur. In this way such reactions can be suitable candidates for the development of chemical lasers in which the population inversion is obtained by means of a pure chemical reaction. A kinetic study of the second-order reactions Ca({sup 1}S) + N{sub 2}O(X{sup 1}{Sigma}{sup +}) {yields} CaO + N{sub 2} and Sr({sup 1}S) + N{sub 2}O(X{sup 1}{Sigma}{sup +}) {yields} SrO + N{sub 2} has been carried out in a fast-flow reactor in the temperature ranges of, respectively, 303--1015 and 303--999 K. The alkaline earth metal atoms were thermally generated from the solid metal pellets. Their decays as a function of the added N{sub 2}O concentration were followed by means of atomic absorption spectroscopy (AAS) at 422.7 nm for calcium and 460.7 nm for strontium atoms. Both reactions showed a non-Arrhenius behavior that can best be explained by the presence of two reaction product channels, resulting in a rate constant expressed as the sum of two exponential functions. The best fits over the entire temperature range are given by polynomial expressions. The results will be discussed in view of the literature data on the alkaline earth metal atom + N{sub 2}O reactions. The experimentally derived energy barriers will be compared with the calculated values on the basis of the semiempirical configuration interaction theory (SECI). Reasonably good correlations were obtained between the barrier heights of the reaction and the promotion energy of the metals involved.

Accurate 238U(n , 2 n )237U reaction cross-section measurements from 6.5 to 14.8 MeV

Science.gov (United States)

Krishichayan, Bhike, M.; Tornow, W.; Tonchev, A. P.; Kawano, T.

2017-10-01

The cross section for the 238U(n ,2 n )237U reaction has been measured in the incident neutron energy range from 6.5 to 14.8 MeV in small energy steps using an activation technique. Monoenergetic neutron beams were produced via the 2H(d ,n )3He and 3H(d ,n )4He reactions. 238U targets were activated along with Au and Al monitor foils to determine the incident neutron flux. The activity of the reaction products was measured in TUNL's low-background counting facility using high-resolution γ -ray spectroscopy. The results are compared with previous measurements and latest data evaluations. Statistical-model calculations, based on the Hauser-Feshbach formalism, have been carried out using the CoH3 code and are compared with the experimental results. The present self-consistent and high-quality data are important for stockpile stewardship and nuclear forensic purposes as well as for the design and operation of fast reactors.

Analysis of Protein Content in Rices Using Fast Neutron Reaction 14N(n,2 n) N13

International Nuclear Information System (INIS)

Sri-Sulamdari; Elin-Nuraini; Chotimah

2000-01-01

Protein content in rices such as IR 33 , Cisadane, and Rojolele has beendetermined using fast neutron activation analysis (FNAA). The existence ofprotein is characterized using E γ = 0.511 MeV from nuclear reaction 14 N (n,2 n) N 13 . Two methods of FNAA for quantification were used. Inabsolute method, the protein content was determined by measuring the neutronflux using Al foil, and in comparative additive method it was determined bycomparing to the known N standard which was additive to the samples. Theexperimental results show that the protein content in those rices ranges from(6.33 ± 0.05) % to (6.9 ± 0.11) % in weight. From the reference, thegrained rices contained 6.8 % in weight of protein. The value of the proteinstandard from the reference was in range of the experimental result. Howeverthere were still differences due to nuclear data stability of flux neutron,flux sample composition and the utilization of detector. (author)

Contribution to the study of {pi}N {yields} {pi}{sub 1}{pi}{sub 2}N reactions with creation of an intermediate N{sup *}{sub 3/2} {sub (1236)} isobar from 0.4 to 1.5 GeV; Contribution a l'etude des reactions {pi}N {yields} {pi}{sub 1}{pi}{sub 2}N avec creation d'un isobare intermediaire N{sup *}{sub 3/2} {sub (1236)} de 0.4 a 1.5 GeV

Energy Technology Data Exchange (ETDEWEB)

Merlo, J P [Commissariat a l' Energie Atomique, 91 - Saclay (France). Centre d' Etudes Nucleaires. Division de la Physique, Departement de Physique des Particules Elementaires

1976-07-01

The one pion production reaction {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} has been studied up to 1.5 GeV. The {pi}{sup 0} angular distribution measured by counter techniques has been compared to bubble chamber data. Angular distributions are interpreted in the hypothesis of formation of the intermediate N{sup *}{sub 3/2}(1236) isobar. Angular distributions for isobar production and decay in one pion production reactions {pi}N {yields} {pi}{sub 1}N{sup *} (N{sup *} {yields} {pi}{sub 2}N], are calculated in chapter II. {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} experimental results are reported and analyzed in chapter III. An estimation of the pion-isobar partial wave amplitudes in reaction {pi}{sup +}p {yields} {pi}{sup 0}N{sup *++}{sub 3/2}(1236) has been tempted. Comparison with {pi}{sup +}p phase shift analyses is made. Bubble chamber data for {pi}{sup -}p {yields} {pi}{sup -}{pi}{sup +}n channel are presented at the end of chapter III. (author) [French] La reaction de production d'un pion {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} a ete etudiee jusqu'a 1.5 GeV. La distribution angulaire du {pi}{sup 0} mesuree par la technique des compteurs a ete comparee aux resultats de chambre a bulles. Les distributions angulaires sont interpretees dans l'hypothese de la formation de l'isobare N{sup *}{sub 3/2}(1236) intermediaire. Les distributions angulaires de production et de desintegration de l'isobare dans les reactions de production d'un pion, {pi}N {yields} {pi}{sub 1}N{sup *} (N{sup *} {yields} {pi}{sub 2}N], sont calculees au second chapitre. Les resultats experimentaux de la voie {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} sont presentes et analyses au troisieme chapitre. Une evaluation des amplitudes d'ondes partielles de production de l'isobare N{sup *}{sub 3/2}(1236) dans la reaction {pi}{sup +}p {yields} {pi}{sup 0}N{sup *++}{sub 3/2}(1236) a ete tentee. Une comparaison est faite avec les analyses en dephasages de l'interaction {pi}{sup +}p. Les

Intermediate nuclear structure for 2ν2β decay of 48Ca studied by (p, n) and (n, p) reactions at 300 MeV

International Nuclear Information System (INIS)

Sakai, H.; Yako, K.

2009-01-01

The two neutrino double beta (2ν2β) decay proceeds through a sequence of Gamow-Teller (GT) transitions, namely from the parent nucleus to the intermediate nucleus and then from the intermediate nucleus to the final daughter nucleus. The nuclear matrix element M 2ν for the 2ν2β - decay thus consists of the 2β - decay matrix elements for the parent nucleus decay and the 2β - decay matrix elements for the intermediate nucleus decay. These 2β - decay matrix elements can be studied experimentally through the (p, n) reaction for the parent nucleus decay and the (n, p) reaction for the intermediate nucleus decay. The 2ν2β-decay nucleus, 4 8C a is studied. The charge exchange (p, n) and (n, p) measurements at 300 MeV were performed using the neutron time-of-flight facility and the (n,p) facility, respectively, at RCNP. The (p, n) measurement on 4 8C a and the (n,p) measurement on 4 8T i provided us, for the first time, reliable B(GT - ) and B(GT + ) strength distributions up to high excitation energy of 30 MeV of the intermediate nucleus 4 8S c. The multipole decomposition analysis was applied to the angular distributions of the cross section spectra to extract the ΔL = 0 components, which are used to deduce B(GT ± ). Figure shows the double differential cross Nb sections for 4 8C a(p, n)4 8S c (left panel) and 4 8T i(n,p)4 8S c (right panel) reactions. The histograms show the results of the multi-pole decomposition analyses. It is very surprising to find sizable amount of ΔL = 0 yield, i.e. B(GT + ) strength in the highly excited energy region (> 10 MeV). The obtained B(GT ± ) distribution in 4 8S c as well as corresponding nuclear matrix elements M 2ν are compared with theoretical shell model calculation. In this talk, new results will be presented and their implication to the nuclear matrix elements for the 2ν2β-decay will be discussed (author)

Third O2 addition reactions promote the low-temperature auto-ignition of n-alkanes

KAUST Repository

Wang, Zhandong

2016-01-20

Comprehensive low-temperature oxidation mechanisms are needed to accurately predict fuel auto-ignition properties. This paper studies the effects of a previously unconsidered third O2 addition reaction scheme on the simulated auto-ignition of n-alkanes. We demonstrate that this extended low-temperature oxidation scheme has a minor effect on the simulation of n-pentane ignition; however, its addition significantly improves the prediction of n-hexane auto-ignition under low-temperature rapid compression machine conditions. Additional simulations of n-hexane in a homogeneous charge compression ignition engine show that engine-operating parameters (e.g., intake temperature and combustion phasing) are significantly altered when the third O2 addition kinetic mechanism is considered. The advanced combustion phasing is initiated by the formation and destruction of additional radical chain-branching intermediates produced in the third O2 addition process, e.g. keto-dihydroperoxides and/or keto-hydroperoxy cyclic ethers. Our results indicate that third O2 addition reactions accelerate low-temperature radical chain branching at conditions of relevance to advance engine technologies, and therefore these chemical pathways should also be considered for n-alkanes with 6 or more carbon atoms. © 2015 The Combustion Institute.

Reactions of N2(A3Σ/sub u/+) and candidates for short wavelength lasers

International Nuclear Information System (INIS)

Setser, D.W.

1987-01-01

This proposal is a request for a one year renewal of a contract with the Univ. of California (Lawrence Livermore Laboratory). The proposed experiments are directed towards investigation of possible short-wavelength laser candidate molecules that can be pumped via excitation-transfer reactions with N 2 (A 3 Σ/sub u/ + ) molecules. We will continue our flowing-afterglow experiments to characterize the excitation-transfer collisions between N 2 (A) and promising acceptor diatomic molecules (radicals). We also will extend the studies to include excitation-transfer to Cd and to S atoms. For some chemical systems, a pulsed N 2 (A) source would be very convenient for kinetic measurements and we propose to develop a pulsed N 2 (A) source. During the first year, we have shown that the excitation-transfer reaction between N 2 (A) and SO(X) provides a possible laser candidate. Therefore, we propose to start a program to study the quenching and relaxation kinetics of the SO(A 3 PI) molecule, using pulsed laser excitation techniques to generate specific levels of SO(A 3 PI)

Techniques for vector analyzing power measurements of the 2H(n vector,np)n breakup reaction at low energies

International Nuclear Information System (INIS)

Howell, C.R.; Tornow, W.; Pfuetzner, H.G.; Li Anli; Roberts, M.L.; Murphy, K.; Felsher, P.D.; Weisel, G.J.; Naqvi, A.; Walter, R.L.; Lambert, J.M.; Treado, P.A.

1990-01-01

Experimental methods to measure the vector analyzing powers over a broad range of kinematic configurations in the n-d breakup reaction have been developed at TUNL. These techniques employ the polarized beam facilities at TUNL and use the 2 H(d vector, n vector) 3 He reaction as a source of low-energy polarized neutrons. Our methods permit measurements to a high statistical accuracy over a large fraction of three-nucleon phase space. The techniques are described and experimental spectra along with kinematic calculations are presented. (orig.)

The cross section measurement for the reactions of 48,46Ti(n,p) 48,46Sc, 50Ti(n, α)47Ca and 58Ni (n, 2n)57Ni, 58Ni(n,p)58m+gCo

International Nuclear Information System (INIS)

Yuan Junqian; Wang Yongchang; Kong Xiangzhong; Yang Jingkang

1992-01-01

The cross sections for the 50 Ti(n, α) 47 Ca, 46 Ti(n, p) 46 Sc, 48 Ti(n, p) 48 Sc and 58 Ni(n, 2n) 57 Ni, 58 Ni(n, p) 58m+g Co reactions have been measured by using the activation method relative to the cross sections of the 27 Al(n, α) 24 Na reaction in the neutron energy range of 13.50-14.81 MeV. The neutron energies were determined by the cross section ratios of the 90 Zr(n, 2n) 89m+g Zr and 93 Nb(n, 2n) 92m Nb reactions. The results obtained are compared with the published and to be published data of several authors

The energy spectrum of neutrons from 7Li(d,n)8Be reaction at deuteron energy 2.9 MeV

Science.gov (United States)

Mitrofanov, Konstantin V.; Piksaikin, Vladimir M.; Zolotarev, Konstantin I.; Egorov, Andrey S.; Gremyachkin, Dmitrii E.

2017-09-01

The neutron beams generated at the electrostatic accelerators using nuclear reactions T(p,n)3He, D(d,n)3He, 7Li(p,n)7Be, T(d,n)4He, 7Li(d,n)8Be, 9Be(d,n)10B are widely used in neutron physics and in many practical applications. Among these reactions the least studied reactions are 7Li(d,n)8Be and 9Be(d,n)10B. The present work is devoted to the measurement of the neutron spectrum from 7Li(d,n)8Be reaction at 0∘ angle to the deuteron beam axis on the electrostatic accelerator Tandetron (JSC "SSC RF - IPPE") using activation method and a stilbene crystal scintillation detector. The first time ever 7Li(d,n)8Be reaction was measured by activation method. The target was a thick lithium layer on metallic backing. The energy of the incident deuteron was 2.9 MeV. As activation detectors a wide range of nuclear reactions were used: 27Al(n,p)27Mg, 27Al(n,α)24Na, 113In(n,n')113mIn, 115In(n,n')115mIn, 115In(n,γ)116mIn, 58Ni(n,p)58mCo, 58Ni(n,2n)57Ni, 197Au(n,γ)198Au, 197Au(n,2n)196Au, 59Co(n,p)59Fe, 59Co(n,2n)58m+gCo, 59Co (n,g)60Co. Measurement of the induced gamma-activity was carried out using HPGe detector Canberra GX5019 [1]. The up-to-date evaluations of the cross sections for these reactions were used in processing of the data. The program STAYSL was used to unfold the energy spectra. The neutron spectra obtained by activation detectors is consistent with the corresponding data measured by a stilbene crystal scintillation detector within their uncertainties.

The energy spectrum of neutrons from 7Li(d,n8Be reaction at deuteron energy 2.9 MeV

Directory of Open Access Journals (Sweden)

Mitrofanov Konstantin V.

2017-01-01

Full Text Available The neutron beams generated at the electrostatic accelerators using nuclear reactions T(p,n3He, D(d,n3He, 7Li(p,n7Be, T(d,n4He, 7Li(d,n8Be, 9Be(d,n10B are widely used in neutron physics and in many practical applications. Among these reactions the least studied reactions are 7Li(d,n8Be and 9Be(d,n10B. The present work is devoted to the measurement of the neutron spectrum from 7Li(d,n8Be reaction at 0∘ angle to the deuteron beam axis on the electrostatic accelerator Tandetron (JSC “SSC RF – IPPE” using activation method and a stilbene crystal scintillation detector. The first time ever 7Li(d,n8Be reaction was measured by activation method. The target was a thick lithium layer on metallic backing. The energy of the incident deuteron was 2.9 MeV. As activation detectors a wide range of nuclear reactions were used: 27Al(n,p27Mg, 27Al(n,α24Na, 113In(n,n'113mIn, 115In(n,n'115mIn, 115In(n,γ116mIn, 58Ni(n,p58mCo, 58Ni(n,2n57Ni, 197Au(n,γ198Au, 197Au(n,2n196Au, 59Co(n,p59Fe, 59Co(n,2n58m+gCo, 59Co (n,g60Co. Measurement of the induced gamma-activity was carried out using HPGe detector Canberra GX5019 [1]. The up-to-date evaluations of the cross sections for these reactions were used in processing of the data. The program STAYSL was used to unfold the energy spectra. The neutron spectra obtained by activation detectors is consistent with the corresponding data measured by a stilbene crystal scintillation detector within their uncertainties.

Using (n,xnγ) reactions to probe collective nuclear structure

International Nuclear Information System (INIS)

Yates, S.W.; Brown, T.B.; Warr, N.; Hannant, C.D.

2000-01-01

Complete text of publication follows. The (n,n'γ) reaction has been utilized at the University of Kentucky accelerator laboratory for many years to study the structure of stable nuclei (1,2). Through the use of γ-ray excitation function and angular distribution measurements, detailed level schemes of stable nuclei can be established. In recent years, the Doppler-shift attenuation method (DSAM) has been applied following the inelastic neutron scattering reaction to determine the lifetimes of nuclear states (3), and collimated neutron 'beams' have been employed in γ-γ coincidence measurements with an array of HPGe detectors in a close geometry (4,5). Recently, γ-ray detection facilities (6,7) for reactions induced by spallation neutrons, with energies of several hundred MeV, have become available at the Los Alamos Neutron Science Center (LANSCE), and initial measurements indicate that a large variety of reactions are possible. Evidence has been obtained for reactions with as many as 27 particles emitted (7). While the mechanisms of such reactions may be of interest, the primary spectroscopic advantage of utilizing higher-energy neutrons appears to be that neutron-rich nuclei which are not normally available for study with fusion-evaporation reactions can be accessed. As a complement to these measurements with very energetic neutrons, (n2nγ) and (n,3nγ) reaction studies have been explored with neutrons from the 2 H(d,n) and 3 H(d,n) reactions and the facilities at the University of Kentucky. Neutron energies as high as 22 MeV have been employed. Initial evaluations have focussed on data from the 186 W(n,2nγ) 185 W and 186 W(n,3nγ) 184 W reactions and indicate that a great deal of information can be obtained. The advantages of these measurements, as well as comparisons with data from reactions with spallation neutrons, will be presented. This work was supported under grant PHY-9803784 from the U.S. National Science Foundation. (author)

Evaluation of the cross-sections for the reactions 19F(n,2n)18F, 31P(n,p)31Si, 93Nb(n,n')sup(93m)Nb and 103Rh(n,n')sup(103m)Rh

International Nuclear Information System (INIS)

Strohmaier, B.; Tagesen, S.; Vonach, H.

1980-01-01

The cross-sections for the four important neutron dosimetry reactions 19 F(n,2n) 18 F, 31 P(n,p) 31 Si, 93 Nb(n,n')sup(93m)Nb and 103 Rh(n,n')sup(103m)Rh were evaluated in the neutron energy range from threshold to 20 MeV. For the 19 F(n,2n) reaction the evaluation could be based entirely on experimental data; for the reactions 31 P(n,p) 31 Si and 103 Rh(n,n')sup(103m)Rh large gaps in the experimental excitation functions and large discrepancies between the existing data made it necessary to supplement the experimental data by cross-section calculations and to give about equal weight to the experimental and calculated cross-sections. For the 93 Nb(n,n')sup(93m)Nb reaction the evaluation had to be based entirely on the theoretically calculated cross-sections. All data sets were critically reviewed and obviously erroneous data sets were disregarded. If necessary, the data were renormalized in order to take into account adjustments in corresponding standard cross-sections and decay schemes. For each evaluated cross-sections also an uncertainty (on a 1sigma confidence level) was derived taking into account the errors given by the experimentalists, the general consistency of the experimental data and the estimated errors of the theoretically calculated cross-sections. (orig.) [de

Size-selective electrocatalytic activity of (Pt)n/MoS2for oxygen reduction reaction

DEFF Research Database (Denmark)

Bothra, Pallavi; Pandey, Mohnish; Pati, Swapan K.

2016-01-01

In the present work, we have investigated the electrocatalytic activity of the oxygen reduction reaction (ORR), O2 + 4H+ + 4e− → 2H2O, for (Pt)n clusters (n = 1, 2, 3, 5, 7, 10 and 12) adsorbed on semiconducting (2H) and metallic (1T) MoS2 monolayers using first principles density functional theory....... We have considered four elementary reactions involved in ORR within a unified electrochemical thermodynamic framework and the corresponding Gibbs adsorption free energies of the key intermediates (*OOH, *O, *OH) associated with each step have been calculated. The results indicate that the reduction...... of adsorbed hydroxyl (*OH) to water (*OH + H+ + e− → H2O) is the bottleneck step in the ORR process. The adsorption free energy of *OH (ΔG*OH) is found to be the thermodynamic descriptor for the present systems. Eventually, the ORR activity has been described as a function of ΔG*OH and a volcano plot...

Kinetical Analysis of the Mechanism of the Ligand Substitution Reaction between the Ethylenediamine-N,N{sup `}-bis[2-(2-hydroxyphenyl) acetato] cadmate (2) Ion and the Ethylenediaminetetraacetatoferrate (3) Ion; Echienjiami-N,N`-bisu[2-(2-hidorokishifueniru)asetato] kadomiume (2) san eion to echirenjiamintetoraasetato tetsu (3) san ion tono aida no haiishi okikae hanno no hanno sokudoron ni yoru kiko kaiseki

Energy Technology Data Exchange (ETDEWEB)

Katsuyama, Tetsuo.; Orihara, Katsuo.; Takahata, Yasuyuki.; Yokota, Toshiyuki. [Yamagata University, Yamagata (Japan). Department of Materials Science and Enginering

1998-12-10

The kinetics of the ligand substitution reaction between the ethylenediamine-N,N`- bis[2-(2-hydroxyphenyl) acetato] cadmate (2) ion and the ethylenediaminetetraacetatoferrate (3) ion were carried out at 25 degreeC and ionic strength=0.1 mol dm{sup -3}. The substitution reaction was shown to proceed by a chain reaction mechanism where the chain propageting steps are the reactions of metal complexes with metal ions. The properties of the metal chain reaction mechanism are discussed. The metal-substitution of [Fe (edta)]{sup -} with cadmium ion was studied by the use of the chain reactins. The observed rae constants of the reaction were separated into two rate constants. The mechamism of the reactions is discussed. (author)

Kinetical Analysis of the Mechanism of the Ligand Substitution Reaction between the Ethylenediamine-N,N[sup ']-bis[2-(2-hydroxyphenyl) acetato] cadmate (2) Ion and the Ethylenediaminetetraacetatoferrate (3) Ion. Echienjiami-N,N'-bisu[2-(2-hidorokishifueniru)asetato] kadomiume (2) san eion to echirenjiamintetoraasetato tetsu (3) san ion tono aida no haiishi okikae hanno no hanno sokudoron ni yoru kiko kaiseki

Energy Technology Data Exchange (ETDEWEB)

Katsuyama, Tetsuo.; Orihara, Katsuo.; Takahata, Yasuyuki.; Yokota, Toshiyuki. (Yamagata University, Yamagata (Japan). Department of Materials Science and Enginering)

1998-12-10

The kinetics of the ligand substitution reaction between the ethylenediamine-N,N'- bis[2-(2-hydroxyphenyl) acetato] cadmate (2) ion and the ethylenediaminetetraacetatoferrate (3) ion were carried out at 25 degreeC and ionic strength=0.1 mol dm[sup -3]. The substitution reaction was shown to proceed by a chain reaction mechanism where the chain propageting steps are the reactions of metal complexes with metal ions. The properties of the metal chain reaction mechanism are discussed. The metal-substitution of [Fe (edta)][sup -] with cadmium ion was studied by the use of the chain reactins. The observed rae constants of the reaction were separated into two rate constants. The mechamism of the reactions is discussed. (author)

Contribution to the study of {pi}N {yields} {pi}{sub 1}{pi}{sub 2}N reactions with creation of an intermediate N{sup *}{sub 3/2} {sub (1236)} isobar from 0.4 to 1.5 GeV; Contribution a l'etude des reactions {pi}N {yields} {pi}{sub 1}{pi}{sub 2}N avec creation d'un isobare intermediaire N{sup *}{sub 3/2} {sub (1236)} de 0.4 a 1.5 GeV

Energy Technology Data Exchange (ETDEWEB)

Merlo, J.P. [Commissariat a l' Energie Atomique, 91 - Saclay (France). Centre d' Etudes Nucleaires. Division de la Physique, Departement de Physique des Particules Elementaires

1976-07-01

The one pion production reaction {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} has been studied up to 1.5 GeV. The {pi}{sup 0} angular distribution measured by counter techniques has been compared to bubble chamber data. Angular distributions are interpreted in the hypothesis of formation of the intermediate N{sup *}{sub 3/2}(1236) isobar. Angular distributions for isobar production and decay in one pion production reactions {pi}N {yields} {pi}{sub 1}N{sup *} (N{sup *} {yields} {pi}{sub 2}N], are calculated in chapter II. {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} experimental results are reported and analyzed in chapter III. An estimation of the pion-isobar partial wave amplitudes in reaction {pi}{sup +}p {yields} {pi}{sup 0}N{sup *++}{sub 3/2}(1236) has been tempted. Comparison with {pi}{sup +}p phase shift analyses is made. Bubble chamber data for {pi}{sup -}p {yields} {pi}{sup -}{pi}{sup +}n channel are presented at the end of chapter III. (author) [French] La reaction de production d'un pion {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} a ete etudiee jusqu'a 1.5 GeV. La distribution angulaire du {pi}{sup 0} mesuree par la technique des compteurs a ete comparee aux resultats de chambre a bulles. Les distributions angulaires sont interpretees dans l'hypothese de la formation de l'isobare N{sup *}{sub 3/2}(1236) intermediaire. Les distributions angulaires de production et de desintegration de l'isobare dans les reactions de production d'un pion, {pi}N {yields} {pi}{sub 1}N{sup *} (N{sup *} {yields} {pi}{sub 2}N], sont calculees au second chapitre. Les resultats experimentaux de la voie {pi}{sup +}p {yields} {pi}{sup +}p{pi}{sup 0} sont presentes et analyses au troisieme chapitre. Une evaluation des amplitudes d'ondes partielles de production de l'isobare N{sup *}{sub 3/2}(1236) dans la reaction {pi}{sup +}p {yields} {pi}{sup 0}N{sup *++}{sub 3/2}(1236) a ete tentee. Une comparaison est faite avec les analyses en

The 2H(p,2p)n reaction at 508 MeV. Part I

International Nuclear Information System (INIS)

Punjabi, V.; Perdrisat, C.F.; Aniol, K.A.; Epstein, M.B.; Huber, J.P.; Margaziotis, D.J.; Bracco, A.; Davis, C.A.; Gubler, H.P.; Lee, W.P.; Poffenberger, P.R.; van Oers, W.T.H.; Postma, H.; Sebel, H.J.; Stetz, A.W.

1988-09-01

Differential cross sections for the reaction 2 H(p,2p)n at T p = 507 and 508 MeV are presented. The proton angle pairs chosen were 41.5 degrees with 41.4 and 50.0, 30.1 degrees with 44.0, 53,75, 61.0, and 68.0, 38.1 degrees -38.0 degrees, 44.1 degrees - 44.0 degrees, 47.1 degrees - 47.0 degrees and 50.0 degrees - 50.0 degrees. The data range over an energy window 100 MeV wide on one of the proton energies, the second energy being defined by the kinematic condition of a single neutron recoiling. The data are compared with the impulse approximation (IA) prediction and with the results of a nonrelativistic calculation of the six lowest-order Feynman diagrams describing the reaction. A previously known missing strength for the reaction in the small neutron recoil region is confirmed with much smaller experimental uncertainty; the missing strength persists up to 150 MeV/c neutron recoil. The onset of a systematic section excess relative to the IA near neutron recoil momentum 200 MeV is explored in detail. (Author) (37 refs., 17 figs.)

Chemical dynamics simulations of X- + CH3Y → XCH3 + Y- gas-phase S(N)2 nucleophilic substitution reactions. Nonstatistical dynamics and nontraditional reaction mechanisms.

Science.gov (United States)

Manikandan, Paranjothy; Zhang, Jiaxu; Hase, William L

2012-03-29

Extensive classical chemical dynamics simulations of gas-phase X(-) + CH(3)Y → XCH(3) + Y(-) S(N)2 nucleophilic substitution reactions are reviewed and discussed and compared with experimental measurements and predictions of theoretical models. The primary emphasis is on reactions for which X and Y are halogen atoms. Both reactions with the traditional potential energy surface (PES), which include pre- and postreaction potential energy minima and a central barrier, and reactions with nontraditional PESs are considered. These S(N)2 reactions exhibit important nonstatistical atomic-level dynamics. The X(-) + CH(3)Y → X(-)---CH(3)Y association rate constant is less than the capture model as a result of inefficient energy transfer from X(-)+ CH(3)Y relative translation to CH(3)Y rotation and vibration. There is weak coupling between the low-frequency intermolecular modes of the X(-)---CH(3)Y complex and higher frequency CH(3)Y intramolecular modes, resulting in non-RRKM kinetics for X(-)---CH(3)Y unimolecular decomposition. Recrossings of the [X--CH(3)--Y](-) central barrier is important. As a result of the above dynamics, the relative translational energy and temperature dependencies of the S(N)2 rate constants are not accurately given by statistical theory. The nonstatistical dynamics results in nonstatistical partitioning of the available energy to XCH(3) +Y(-) reaction products. Besides the indirect, complex forming atomic-level mechanism for the S(N)2 reaction, direct mechanisms promoted by X(-) + CH(3)Y relative translational or CH(3)Y vibrational excitation are possible, e.g., the roundabout mechanism.

Calculations of (n,2n) reaction cross sections for Barium isotopes from 5 to 20 MeV

Science.gov (United States)

Sahan, Halide; Sahan, Muhittin; Tel, Eyyup

2017-09-01

In this study, the excitation functions of (n,2n) reactions for 30,32,34,35,37,38Ba isotopes are calculated using TALYS 1.6, EMPIRE-3.2.2, and ALICE-GDH codes based on statistical model up to 20 MeV. Moreover, the cross section for each isotope have also been estimated at 14.2 MeV using semi empirical formula developed by four different authors. The calculated and estimated cross-sections are compared with experimental cross-sections from EXFOR and compared with the evaluation data in ENDF/B-VII.1 library. Results are close agreement with the experimental data from literature.

Reactions of BBr(n)(+) (n = 0--2) at fluorinated and hydrocarbon self-assembled monolayer surfaces: observations of chemical selectivity in ion--surface scattering.

Science.gov (United States)

Wade, N; Shen, J; Koskinen, J; Cooks, R G

2001-07-01

Ion-surface reactions involving BBr(n)(+) (n = 0--2) with a fluorinated self-assembled monolayer (F-SAM) surface were investigated using a multi-sector scattering mass spectrometer. Collisions of the B(+) ion yield BF(2)(+) at threshold energy with the simpler product ion BF(+)* appearing at higher collision energies and remaining of lower abundance than BF(2)(+) at all energies examined. In addition, the reactively sputtered ion CF(+) accompanies the formation of BF(2)(+) at low collision energies. These results stand in contrast with previous data on the ion-surface reactions of atomic ions with the F-SAM surface in that the threshold and most abundant reaction products in those cases involved the abstraction of a single fluorine atom. Gas-phase enthalpy data are consistent with BF(2)(+) being the thermodynamically favored product. The fact that the abundance of BF(2)(+) is relatively low and relatively insensitive to changes in collision energy suggests that this reaction proceeds through an entropically demanding intermediate at the vacuum--surface interface, one which involves interaction of the B(+) ion simultaneously with two fluorine atoms. By contrast with the reaction of B(+), the odd-electron species BBr(+)* reacts with the F-SAM surface to yield an abundant single-fluorine abstraction product, BBrF(+). Corresponding gas-phase ion--molecule experiments involving B(+) and BBr(+)* with C(6)F(14) also yield the products BF(+)* and BF(2)(+), but only in extremely low abundances and with no preference for double fluorine abstraction. Ion--surface reactions were also investigated for BBr(n)(+) (n = 0-2) with a hydrocarbon self-assembled monolayer (H-SAM) surface. Reaction of the B(+) ion and dissociative reactions of BBr(+)* result in the formation of BH(2)(+), while the thermodynamically less favorable product BH(+)* is not observed. Collisions of BBr(2)(+) with the H-SAM surface yield the dissociative ion-surface reaction products, BBrH(+) and BBrCH(3

Upper limits to the reaction rate coefficients of C(n)(-) and C(n)H(-) (n = 2, 4, 6) with molecular hydrogen.

Science.gov (United States)

Endres, Eric S; Lakhmanskaya, Olga; Hauser, Daniel; Huber, Stefan E; Best, Thorsten; Kumar, Sunil S; Probst, Michael; Wester, Roland

2014-08-21

In the interstellar medium (ISM) ion–molecule reactions play a key role in forming complex molecules. Since 2006, after the radioastronomical discovery of the first of by now six interstellar anions, interest has grown in understanding the formation and destruction pathways of negative ions in the ISM. Experiments have focused on reactions and photodetachment of the identified negatively charged ions. Hints were found that the reactions of CnH(–) with H2 may proceed with a low (rate [Eichelberger, B.; et al. Astrophys. J. 2007, 667, 1283]. Because of the high abundance of molecular hydrogen in the ISM, a precise knowledge of the reaction rate is needed for a better understanding of the low-temperature chemistry in the ISM. A suitable tool to analyze rare reactions is the 22-pole radiofrequency ion trap. Here, we report on reaction rates for Cn(–) and CnH(–) (n = 2, 4, 6) with buffer gas temperatures of H2 at 12 and 300 K. Our experiments show the absence of these reactions with an upper limit to the rate coefficients between 4 × 10(–16) and 5 × 10(–15) cm(3) s(–1), except for the case of C2(–), which does react with a finite rate with H2 at low temperatures. For the cases of C2H(–) and C4H(–), the experimental results were confirmed with quantum chemical calculations. In addition, the possible influence of a residual reactivity on the abundance of C4H(–) and C6H(–) in the ISM were estimated on the basis of a gas-phase chemical model based on the KIDA database. We found that the simulated ion abundances are already unaffected if reaction rate coefficients with H2 were below 10(–14) cm(3) s(–1).

The multichannel n-propyl + O2 reaction surface: Definitive theory on a model hydrocarbon oxidation mechanism

Science.gov (United States)

Bartlett, Marcus A.; Liang, Tao; Pu, Liang; Schaefer, Henry F.; Allen, Wesley D.

2018-03-01

The n-propyl + O2 reaction is an important model of chain branching reactions in larger combustion systems. In this work, focal point analyses (FPAs) extrapolating to the ab initio limit were performed on the n-propyl + O2 system based on explicit quantum chemical computations with electron correlation treatments through coupled cluster single, double, triple, and perturbative quadruple excitations [CCSDT(Q)] and basis sets up to cc-pV5Z. All reaction species and transition states were fully optimized at the rigorous CCSD(T)/cc-pVTZ level of theory, revealing some substantial differences in comparison to the density functional theory geometries existing in the literature. A mixed Hessian methodology was implemented and benchmarked that essentially makes the computations of CCSD(T)/cc-pVTZ vibrational frequencies feasible and thus provides critical improvements to zero-point vibrational energies for the n-propyl + O2 system. Two key stationary points, n-propylperoxy radical (MIN1) and its concerted elimination transition state (TS1), were located 32.7 kcal mol-1 and 2.4 kcal mol-1 below the reactants, respectively. Two competitive β-hydrogen transfer transition states (TS2 and TS2') were found separated by only 0.16 kcal mol-1, a fact unrecognized in the current combustion literature. Incorporating TS2' in master equation (ME) kinetic models might reduce the large discrepancy of 2.5 kcal mol-1 between FPA and ME barrier heights for TS2. TS2 exhibits an anomalously large diagonal Born-Oppenheimer correction (ΔDBOC = 1.71 kcal mol-1), which is indicative of a nearby surface crossing and possible nonadiabatic reaction dynamics. The first systematic conformational search of three hydroperoxypropyl (QOOH) intermediates was completed, uncovering a total of 32 rotamers lying within 1.6 kcal mol-1 of their respective lowest-energy minima. Our definitive energetics for stationary points on the n-propyl + O2 potential energy surface provide key benchmarks for future studies

Resonance search on πN reaction

International Nuclear Information System (INIS)

Sugahara, Ryuhei

1974-01-01

Present status of the study on resonance state is reviewed. Among various problems on the resonance state, the inelastic decay of baryon resonance and boson resonance are described in this paper. Experimental data on N → N eta with bubble chambers are few. An experimental results by using a counter shows enhancement around 1.8 GeV in the relation between cross section and energy. Some bubble chamber experiment also shows enhancement around 1.6 GeV. The spin and parity analyses for 1000 events are required. Data on N → Nω show enhancement at 1.76 GeV. The effective mass distribution on N → delta ++ (1236)π + π - shows enhancement around 2.0 GeV. Study on the boson resonance has been made, but still ambiguity remains. Effective mass distribution on the reaction π + d → pspπ + π - π 0 shows a peak of ω 1664 . The assignment of spin and parity by Matthews et al. is not in agreement with that by Kenyon et al. therefore confirmation by other experiment is necessary. A few experiment show peaks at 1.4 and 1.7 GeV in the effective mass distribution of (rho 0 rho 0 ) in the reaction anti pp → 3π + π - . Confirmation is also required. Deviation was found in the effective mass distribution of (ωπ + π - ) in anti pp → 3π + π - π 0 reaction, and ωπ + π - decay was seen in π + d → psp2π + 2π - π 0 reaction. (Kato, T.)

Characterization of catalytic supports based in mixed oxides for control reactions of NO and N2O

International Nuclear Information System (INIS)

Garcia C, M.A.; Perez H, R.; Gomez C, A.; Diaz, G.

1999-01-01

The catalytic supports Al 2 O 3 , La 2 O 3 and Al 2 O 3 -La 2 O 3 were prepared by the Precipitation and Coprecipitation techniques. The catalytic supports Al 2 O 3 , La 2 O 3 and Al 2 O 3 -La 2 O 3 were characterized by several techniques to determine: texture (Bet), crystallinity (XRD), chemical composition (Sem)(Ftir) and it was evaluated their total acidity by reaction with 2-propanol. The investigation will be continued with the cobalt addition and this will be evaluated for its catalytic activity in control reactions of N O and N 2 O. (Author)

Thermal rate coefficients in collinear versus bent transition state reactions: the N+N{sub 2} case study

Energy Technology Data Exchange (ETDEWEB)

Lagana, Antonio; Faginas Lago, Noelia; Rampino, Sergio [Dipartimento di Chimica, Universita di Perugia, 06123 Perugia (Italy); Huarte-Larranaga, FermIn [Computer Simulation and Modeling Lab (CoSMoLab), Parc CientIfic de Barcelona, 08028 Barcelona (Spain); GarcIa, Ernesto [Departamento de Quimica Fisica, Universidad del PaIs Vasco, 01006 Vitoria (Spain)], E-mail: lagana05@gmail.com, E-mail: fhuarte@pcb.ub.es, E-mail: e.garcia@ehu.es

2008-10-15

Zero total angular momentum exact quantum calculations of the probabilities of the N+N{sub 2} reaction have been performed on the L3 potential energy surface having a bent transition state. This has allowed us to work out J-shifting estimates of the thermal rate coefficient based on the calculation of either detailed (state-to-state) or cumulative (multiconfiguration) probabilities. The results obtained are used to compare the numerical outcomes and the concurrent computational machineries of both quantum and semiclassical approaches as well as to exploit the potentialities of the J-shifting model. The implications of moving the barrier to reaction from the previously proposed collinear geometry of the LEPS to the bent one of L3 are also investigated by comparing the related detailed reactive probabilities.

Techniques for vector analyzing power measurements of the sup 2 H(n vector,np)n breakup reaction at low energies

Energy Technology Data Exchange (ETDEWEB)

Howell, C.R.; Tornow, W.; Pfuetzner, H.G.; Li Anli; Roberts, M.L.; Murphy, K.; Felsher, P.D.; Weisel, G.J.; Naqvi, A.; Walter, R.L. (Duke Univ., Durham, NC (USA) Triangle Universities Nuclear Lab., Durham, NC (USA)); Lambert, J.M.; Treado, P.A. (Georgetown Univ., Washington, DC (USA). Dept. of Physics); Slaus, I. (Institut Rudjer Boskovic, Zagreb (Yugoslavia))

1990-05-10

Experimental methods to measure the vector analyzing powers over a broad range of kinematic configurations in the n-d breakup reaction have been developed at TUNL. These techniques employ the polarized beam facilities at TUNL and use the {sup 2}H(d vector, n vector){sup 3}He reaction as a source of low-energy polarized neutrons. Our methods permit measurements to a high statistical accuracy over a large fraction of three-nucleon phase space. The techniques are described and experimental spectra along with kinematic calculations are presented. (orig.).

Advances in the catalysts development in base of mixed oxides for control reactions of N2O

International Nuclear Information System (INIS)

Garcia, M.A.; Perez, R.; Gomez, A.; Diaz, G.

2000-01-01

The catalytic supports Al 2 O 3 , La 2 O 3 and Al 2 O 3 -La 2 O 3 were prepared by the precipitation and coprecipitation techniques. The catalytic supports Al 2 O 3 , La 2 O 3 and Al 2 O 3 -La 2 O 3 were characterized by several techniques for to determine texture (BET), crystallinity (XRD), chemical composition (SEM), FTIR and it was evaluated their total acidity by the reaction with 2-propanol. It was continued with the cobalt addition by Impregnation and coprecipitation and it was evaluated its catalytic activity in the N 2 O decomposition reaction. Also it was realized the N 2 O reduction with Co using these catalysts. (Author)

Contribution to the study of πN→π1π2N reactions with creation of an intermediate N*sub(3/2) (1236) isobare from 0.4 to 1.5 GeV

International Nuclear Information System (INIS)

Merlo, J.P.

1976-10-01

The one pion production reaction π + p→π + pπ 0 has been studied up to 1.5 GeV. The π 0 angular distribution measured by counter techniques has been compared to bubble chamber data. Angular distributions are interpreted in the hypothesis of formation of the intermediate N*sub(3/2) (1236) isobar. Angular distributions for isobar production and decay in one pion production reactions πN→π 1 N* (N*→π 2 N) are calculated. π + p→π + pπ 0 experimental results are reported and analyzed. An estimation of the pion-isobar partial wave amplitudes in reaction π + p→π 0 N*sub(3/2)sup(++) (1236) has been tempted. Comparison with π + p phase shift analyses is made. Bubble chamber data for π - p→π - π + n channel are presented [fr

Palladium-catalyzed domino C,N-coupling/carbonylation/Suzuki coupling reaction: an efficient synthesis of 2-aroyl-/heteroaroylindoles.

Science.gov (United States)

Arthuis, Martin; Pontikis, Renée; Florent, Jean-Claude

2009-10-15

A convenient one-pot synthesis of 2-aroylindoles using a domino palladium-catalyzed C,N-coupling/carbonylation/C,C-coupling sequence is described. The reaction involved easily prepared 2-gem-dibromovinylanilines and boronic acids under carbon monoxide. Optimized reaction conditions allowed the construction of a wide variety of highly functionalized 2-aroyl-/heteroaroylindoles in satisfactory yields.

Relative cross-sections of In isomer production in the (pn) and (p,2n) reactions on Cd isotopes

Energy Technology Data Exchange (ETDEWEB)

Skakun, E A; Klyucharev, A P; Rakivnenko, Yu N; Romanij, I A [AN Ukrainskoi SSR, Kiev. Fiziko-Tekhnicheskii Inst.

1975-01-01

Ratios of excitation cross-sections for isomeric pairs are measured in a range of incident proton energy up to 20 MeV in the following reactions: sup(110)Cd(pn)sup(110*,g)In, sup(112)Cd(pn)sup(112*,g)In, sup(110)Cd(p,2n)sup(109*,g)In, sup(111)Cd(p,2n)sup(110*,g)In, and sup(113)Cd(p,2n)sup(112*,g)In. Calculations in terms of the equilibrium statistical theory have been performed for the same reactions. Comparison of the experiment with the theory yields better values for theoretical parameters.

Submillimeter-wave measurements of N2 and O2 pressure broadening for HO2 radical generated by Hg-photosensitized reaction

International Nuclear Information System (INIS)

Mizoguchi, A.; Yagi, T.; Kondo, K.; Sato, T.O.; Kanamori, H.

2012-01-01

The N 2 and O 2 pressure broadening coefficients of the pure rotational transitions at 625.66 GHz (N KaKc =10 1-9 -10 0-10 , J=10.5-10.5) and 649.70 GHz (N KaKc =10 2-9 -9 2-8 , J=9.5-8.5) in the vibronic ground state X 2 A′ of the perhydroxyl (HO 2 ) radical have been determined by precise laboratory measurements. For the production of HO 2 , the mercury-photosensitized reaction of the H 2 and O 2 precursors was used to provide an optimum condition for measurement of the pressure broadening coefficient. The Superconducting Submillimeter-wave Limb Emission Sounder (SMILES) was designed to monitor the volume mixing ratio of trace gases including HO 2 in the Earth's upper atmosphere using these transitions. The precise measurement of pressure broadening coefficient γ in terms of the half width at half maximum is required in order to retrieve the atmospheric volume mixing ratio. In this work, γ coefficients of the 625.66 GHz transition were determined for N 2 and O 2 at room temperature as γ(N 2 )=4.085±0.049 MHz/Torr and γ(O 2 )=2.578±0.047 MHz/Torr with 3σ uncertainty. Similarly, the coefficients of the 649.70 GHz transition were determined as γ(N 2 )=3.489±0.094 MHz/Torr and γ(O 2 )=2.615±0.099 MHz/Torr. The air broadening coefficients for the 625.66 GHz and 649.70 GHz lines were estimated at γ(air)=3.769±0.067 MHz and 3.298±0.099 MHz respectively, where the uncertainty includes possible systematic errors. The newly determined coefficients are compared with previous results and we discuss the advantage of the mercury-photosensitized reaction for HO 2 generation. In comparison with those of other singlet molecules, the pressure broadening coefficients of the HO 2 radical are not much affected by the existence of an unpaired electron.

Measurement of the cross sections for the 175Lu(n,2n)174m,gLu reaction

International Nuclear Information System (INIS)

Yu Weixiang; Zhao Wenrong; Lu Hanlin; Han Xiaogang

1998-01-01

The 175 Lu(n,2n) 174m,g Lu reaction is an important indicator. There are 10 sets of measured data since 1960 (total 58 experimental values). Most of the data are finished at 14 MeV with 20%∼30% discrepancy. So the authors measured the cross section by activation method in neutron energies of 14 MeV and 10∼12 MeV. The measurement is carried out at the Cockcroft-Walton and HI-13 Tandem accelerator of CIAE

The kinetics of the reduction reaction of plutonium(IV) with N,N-dimethylhydroxylamine

International Nuclear Information System (INIS)

Yanxin Chen; Honbing Tang; Jinping Liu; Hui He

2011-01-01

The kinetics of reduction reactions between N,N-dimethylhydroxylamine (DMHAN) and plutonium(IV) in nitric acid solution have been studied spectrophotometrically. The kinetic equation of the reaction is determined to be -d[Pu(IV)]/dt = k 0 [Pu(IV)][DMHAN] 1.18 /[H + ] 2.22 at the beginning, where, the rate constant of the reaction (k 0 ) is 10.5 ± 1.8(mol/L) 1.04 s -1 at 14.5 deg C. By regressing of the time-concentration curve of the reaction, The complete rate equation is calculated as -d[Pu(IV)] / dt = k[Pu(IV)] 2 [DMHAN] 1.18 /[H + ] 2.22 / 8.12[Pu(III)]+95.9[Pu(IV)] with the reaction constant k about 1,000(mol/L) 1.04 s -1 at 14.5 deg C and an ionic strength (μ) of 4.0 mol/L. (author)

1H(d,2p)n reaction at 2 GeV deuteron energy

International Nuclear Information System (INIS)

Erohuml, J.; Fodor, Z.; Koncz, P.; Seres, Z.; Perdrisat, C.F.; Punjabi, V.; Boudard, A.; Bonin, B.; Garcon, M.; Lombard, R.; Mayer, B.; Terrien, Y.; Tomasi, E.; Boivin, M.; Yonnet, J.; Bhang, H.C.; Youn, M.; Belostotsky, S.L.; Grebenuk, O.G.; Nikulin, V.N.; Kudin, L.G.

1994-01-01

The 1 H(d,2p)n deuteron breakup reaction was measured at 2 GeV deuteron energy in a kinematically complete experiment. Fivefold differential cross sections are given in a wide range of kinematical variables and analyzed in terms of impulse approximation and NN rescattering. The deuteron momentum density was determined and deviations were found depending on the value of the four-momentum transfer |t| in the scattering process. At low |t| the momentum densities are in good agreement with the impulse approximation whereas large discrepancies were found above q∼200 MeV/c when the four-momentum transfer was large. Various possible origins of the anomalous behavior at high q values are discussed

Transition metal coordination chemistry ofN,N-bis(2-{pyrid-2-ylethyl})hydroxylamine.

Science.gov (United States)

Belock, Christopher W; Cetin, Anil; Barone, Natalie V; Ziegler, Christopher J

2008-08-18

Although directly relevant to metal mediated biological nitrification as well as the coordination chemistry of peroxide, the metal complexes of hydroxylamines and their functionalized variants remain largely unexplored. The chelating hydroxylamine ligand N,N-bis(2-{pyrid-2-ylethyl})hydroxylamine can be readily generated via a solvent free reaction in high purity; however, the ligand is prone to decomposition which can hamper metal reaction. N,N-bis(2-{pyrid-2-ylethyl})hydroxylamine forms stable complexes with chromium(III), manganese(II), nickel(II), and cadmium(II) ions, coordinating in a side-on mode in the case of chromium and via the nitrogen in the case of the latter three metal ions. The hydroxylamine ligand can also be reduced to form N,N-bis(2-{pyrid-2-ylethyl})amine upon exposure to a stoichiometric amount of the metal salts cobalt(II) nitrate, vanadium(III) chloride, and iron(II) chloride. In the reaction with cobalt nitrate, the reduced ligand then chelates to the metal to form [N,N-bis(2-{pyrid-2-ylethyl})amine]dinitrocobalt(II). Upon reaction with vanadium(III) chloride and iron(III) chloride, the reduced ligand is isolated as the protonated free base, resulting from a metal-mediated decomposition reaction.

The reaction rate for dissociative adsorption of N-2 on stepped Ru(0001): Six-dimensional quantum calculations

DEFF Research Database (Denmark)

van Harrevelt, Rob; Honkala, Johanna Karoliina; Nørskov, Jens Kehlet

2005-01-01

Quantum-mechanical calculations of the reaction rate for dissociative adsorption of N-2 on stepped Ru(0001) are presented. Converged six-dimensional quantum calculations for this heavy-atom reaction have been performed using the multiconfiguration time-dependent Hartree method. A potential...

Evaluation of cross sections for 197Au(n,3n) and 197Au(n,4n) reactions from threshold to 50 MeV

International Nuclear Information System (INIS)

Yu Baosheng; Shen Qingbiao; Cai Dunjiu

1994-01-01

The measured data of cross sections for 197 Au(n,3n) and 197 Au(n,4n) reactions were collected and analysed. The theoretical calculations of above mentioned reactions were carried out to predict the data in higher energy region. The sets of cross sections for 197 Au(n,3n) and 197 Au(n,4n) reactions from threshold to 50 MeV were recommended on the basis of the experimental and calculated data. (2 figs)

Enhanced Oxygen Reduction Reaction by In Situ Anchoring Fe2N Nanoparticles on Nitrogen-Doped Pomelo Peel-Derived Carbon

Directory of Open Access Journals (Sweden)

Yiqing Wang

2017-11-01

Full Text Available The development of effective oxygen electrode catalysts for renewable energy technologies such as metal-air batteries and fuel cells remains challenging. Here, we prepared a novel high-performance oxygen reduction reaction (ORR catalyst comprised of Fe2N nanoparticles (NPs in situ decorated over an N-doped porous carbon derived from pomelo peel (i.e., Fe2N/N-PPC. The decorated Fe2N NPs provided large quantities of Fe-N-C bonding catalytic sites. The as-obtained Fe2N/N-PPC showed superior onset and half-wave potentials (0.966 and 0.891 V, respectively in alkaline media (0.1 M KOH compared to commercial Pt/C through a direct four-electron reaction pathway. Fe2N/N-PPC also showed better stability and methanol tolerance than commercial Pt/C. The outstanding ORR performance of Fe2N/N-PPC was attributed to its high specific surface area and the synergistic effects of Fe2N NPs. The utilization of agricultural wastes as a precursor makes Fe2N/N-PPC an ideal non-precious metal catalyst for ORR applications.

Evaluation of the excitation function of the 238U(n,2n)237U reaction for neutron energies from threshold to 19 MeV

International Nuclear Information System (INIS)

Kornilov, N.V.; Vinogradov, V.N.; Gay, E.V.; Rabotnov, N.S.; Salnikov, O.A.; Raics, P.; Daroczy, S.; Nagy, S.; Csikai, J.

1983-01-01

Experimental results for the 238 U(n,2n) reaction were collected from the literature and evaluated. The normalisation of the measured cross sections was carried out using recent values for the cross sections of standard monitor reactions as well as new nuclear decay data. The evaluated excitation function was then obtained by the Pade-approximation. (Auth.)

Investigation of the 9Be(a,n)12C reaction. Pt. 2

International Nuclear Information System (INIS)

Schmidt, D.; Boettger, R.; Klein, H.; Nolte, R.

1992-04-01

Differential cross sections of the 9 Be(α,n) 12 C reaction have been measured at 19 alpha energies between 7 MeV and 16 MeV. Besides the differential cross sections from the 9 Be(α,n) 12 C(g.s.) reaction, also those of the 9 Be(α,n) 12 C(E ex ) reactions were derived for excitation energies E ex = 4.439, 7.654, 9.641, 10.84, 11.83 and 12.71 MeV. Possible sources of uncertainties have been extensively investigated and the corresponding results have been published in part 1. All partial and integrated cross sections from the 9 Be(α,n) 12 C(g.s.) reaction were determined with uncertainties of less than 5%. The angular distributions were fitted to Legendre polynomial expansions by the least-squares method. A comparison of the measured cross sections with data from other authors and with an evaluation shows considerable deviations in some cases. Tests were also carried out to ascertain how well an interpolation of the Legendre coefficients reproduces the magnitude and shape of the experimentally determined angular distributions. All angular distributions are presented in figures, together with their Legendre polynomial expansions and data from the literature if available. The a l coefficients of the Legendre polynomial expansions are given in the Appendix. (orig.) [de

Results from an extensive study of the ( pi /sup -/, 2n) reaction

CERN Document Server

Bassalleck, B; Furic, M; Klotz, W D; Takeutchi, F; Ullrich, H

1979-01-01

Abstract only given, substantially as follows: An extensive study of the ( pi /sup -/,2n) reaction with stopped pi /sup -/ was completed at the CERN-SC. Target nuclei were from the 1p-shell ranging from /sup 6 /Li to /sup 16/0 and also /sup 40/Ca. Large-area neutron counters with subnanosecond time resolution were used in the kinematically complete experiment. Distributions in different variables were investigated in order to extract information on reaction mechanism and nuclear structure. Among the most important are the excitation energy of the residual nucleus showing the location of observed two-hole states as well as angular and momentum distributions giving information on the quantum state and dynamical characteristics of the nucleon pair involved in the absorption. Transitions to low excitation energies proved to be dominated by the direct quasifree reaction mechanism. In general the strongest observed two-hole strength agreed with theoretical predictions on coefficients of fractional parentage for two...

Cross sections for (p,n) and (d,2n) reactions on /sup 79/Br and /sup 127/I: An evaluation of literature and model calculated results

Energy Technology Data Exchange (ETDEWEB)

Lanier, R.G.; Mustafa, M.G.; West, H.I. Jr.

1989-02-01

We have evaluated (p,n) and (d,2n) cross sections on /sup 79/Br and /sup 127/I, and made these cross sections available for test diagnostics. We believe that these interim cross sections are of reasonable accuracy and should be used for diagnostic interpretations until more precise measurements can be made. Our evaluation consisted of a literature search and an examination of the available experimental data. These data were supplemented by statistical model calculations using both the STAPRE and ALICE codes. We found reasonably good measured data (from threshold to the peak of the excitation function) for the (p,n) reaction on both /sup 79/Br and /sup 127/I. The literature data for the (d,2n) reaction on /sup 127/I are questionable and no data were found for the (d,2n) reaction on /sup 79/Br. We have, therefore, relied completely on calculations for the (d,2n) cross sections for both /sup 79/Br and /sup 127/I. 4 figs., 5 tabs.

Calculation of the energy of particles emitted by the reactions {sup 3}{sub 1}T (d,n) {sup 4}{sub 2}He, D (d,n) {sup 3}{sub 2}He and D (d,p) T; Calcul de l'energie des particules emises par les reactions {sup 3}{sub 1}T (d,n) {sup 4}{sub 2}He, D (d,n) {sup 3}{sub 2}He et D (d,p) T

Energy Technology Data Exchange (ETDEWEB)

Oria, M; Sorriaux, A [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1965-07-01

With a view to ease the work of research workers using 150 kV electrostatic accelerators, we have calculated the energy and the emission angle of particles emitted during the reactions {sub 1}{sup 3}T(d,n){sub 2}{sup 4}He, {sub 1}{sup 2}D(d,n){sub 2}{sup 3}He and {sub 1}{sup 2}D(d,p){sub 1}{sup 3}T. The results are classified in tables and arranged according to the acceleration energy of the deuterons. Since the energies considered are relatively low we have limited our study to the non-relativistic domain; this simplification results in a maximum energy variation with respect to the real energy values of 1 per cent. We give also two curves representing the variations in the total cross-sections for the reactions T (d,n){sub 2}{sup 4}He and D (d,n){sub 2}{sup 3}He. (authors) [French] De facon a faciliter la tache des experimentateurs utilisant des accelerateurs electrostatiques de 150 kV, nous avons calcule l'energie et l'angle d'emission des particules emises lors des reactions {sub 1}{sup 3}T(d,n){sub 2}{sup 4}He, {sub 1}{sup 2}D(d,n){sub 2}{sup 3}He and {sub 1}{sup 2}D(d,p){sub 1}{sup 3}T. Les resultats ont ete classes dans des tableaux, et ordonnes en fonction de l'energie d'acceleration des deuterons. Les energies considerees etant relativement peu elevees, nous avons limite notre etude au domaine non relativiste, cette simplification n'entraine qu'une variation maximale de 1 pour cent sur les valeurs reelles des energies. Nous avons joint a ce calcul deux courbes representant la variation des sections efficaces totales des reactions T (d,n){sub 2}{sup 4}He et D (d,n){sub 2}{sup 3}He. (auteurs)

N-methyl-3-pyrrolidines preparation by means of [3+2] dipoles cycloaddition reactions; Preparacion de N-metil-3-arilpirrolidinas mediante reacciones de cicloadicion dipolares [3+2

Energy Technology Data Exchange (ETDEWEB)

Negron, Guillermo [Universidad Autonoma Metropolitana-Azcapotzalco, Mexico, D.F. (Mexico); Fuentes, Aydee; Romero, Moises [Universidad Autonoma del Estado de Mexico, Toluca, Estado de Mexico (Mexico); Madrid, Gustavo; Cruz, Raymundo [Universidad Nacional Autonoma de Mexico, Mexico, D.F. (Mexico)

1999-08-01

The [3+2] cycloaddition reaction between azomethine ylide generated by deprotonation of trimethylamine N-oxide with LDA and various {alpha}-asarone derivatives to afford the corresponding pyrrolidines is described. [Spanish] Las reacciones de cicloadicion [3+2] entre iluros de azometino generados por accion del LDA sobre el N-oxido de trimetilamina y varios derivados de la {alpha}-asarona, permite la obtencion de las pirrolidinas correspondientes.

Excitation of isomeric states 1h11/2 in (γ, n) reactions

International Nuclear Information System (INIS)

Tonchev, A.P.; Gangrskij, Yu.P.; Belov, A.G.

1995-01-01

The cross sections of (γ, n) reactions were measured for ground and isomeric states 1h 11/2 in 16 isotopes of Pd, Cd, Sn, Te, Ba, Ce, Nd and Sm. The energy of γ-rays was placed in the region of Giant Dipole Resonance. An activation method of measurements has been used. IR dependence of neutron and proton number in nucleus was detected and of excitation energy of residual nucleus as well. Different factors influencing the values of the isomeric ratios are discussed. 20 refs., 5 figs., 2 tabs

Ground-state and isomeric-state cross sections for the {sup 138}Ce(n,2n){sup 137}Ce reaction from its threshold to 20 MeV

Energy Technology Data Exchange (ETDEWEB)

Luo, Junhua [Hexi Univ., Zhangye (China). Inst. of Theoretical Physics; Hexi Univ., Zhangye (China). School of Physics and Electromechanical Engineering; An, Li; Jiang, Li [Chinese Academy of Engineering Physics, Mianyang (China). Inst. of Nuclear Physics and Chemistry

2015-07-01

The cross sections of the {sup 138}Ce(n,2n){sup 137}Ce reactions and their isomeric cross section ratios σ{sub m}/σ{sub g} were measured at three neutron energies between 13.5 and 14.8 MeV using the activation technique. CeO{sub 2} samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The monoenergetic neutron beams were formed via the {sup 3}H(d,n){sup 4}He reaction. The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The pure cross section of the ground-state was derived from the absolute cross section of the metastable state and the residual nuclear decay analysis. The cross sections were also estimated using the nuclear model code, TALYS-1.6 with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature data.

A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube

Science.gov (United States)

Nematollahi, Parisa; Neyts, Erik C.

2018-05-01

In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G∗ computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O2 molecule: O2(g) + CO(g) → O2(ads) + CO(ads) → CO2(g) + O(ads) and O(ads) + CO(g) → CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT.

Designing an Epithermal Neutron Beam for Boron Neutron Capture Therapy for the Fusion Reactions 2H(d,n)3He and 3H(d,n)4He1

International Nuclear Information System (INIS)

Verbeke, J.M.; Costes, S.V.; Bleuel, D.; Vujic, J.; Leung, K.N.

1998-01-01

A beam shaping assembly has been designed to moderate high energy neutrons from the fusion reactions 2 H(d,N) 3 He and 3 H(d,n) 4 He for use fin boron neutron capture therapy. The low neutron yield of the 2 H(d,n) 3 He reaction led to unacceptably long treatment times. However, a 160 mA deuteron beam of energy 400 keV led to a treatment time of 120 minutes with the reaction 3 H(d,n) 4 He. Equivalent doses of 9.6 Gy-Eq and 21.9 Gy-Eq to the skin and to a 8 cm deep tumor respectively have been computed

New determination of the 2H(d,p)3H and 2H(d,n)3He reaction rates at astrophysical energies

International Nuclear Information System (INIS)

Tumino, A.; Spartà, R.; Spitaleri, C.; Pizzone, R. G.; La Cognata, M.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Mukhamedzhanov, A. M.; Typel, S.; Tognelli, E.; Degl'Innocenti, S.; Prada Moroni, P. G.; Burjan, V.; Kroha, V.; Hons, Z.; Mrazek, J.; Piskor, S.; Lamia, L.

2014-01-01

The cross sections of the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions have been measured via the Trojan Horse method applied to the quasi-free 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes at 18 MeV off the proton in 3 He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the 2 H(d,n) 3 He reaction is quite influential on 7 Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (≤1 Myr) with masses ≥1 M ☉ .

Tetradentate N2O2 Chelated Palladium(II Complexes: Synthesis, Characterization, and Catalytic Activity towards Mizoroki-Heck Reaction of Aryl Bromides

Directory of Open Access Journals (Sweden)

Siti Kamilah Che Soh

2013-01-01

Full Text Available Four air and moisture-stable palladium(II-Schiff base complexes, N,N′-bis(α-methylsalicylidenepropane-1,3-diamine palladium(II (2a, N,N′-bis(4-methyl-α-methylsalicylidenepropane-1,3-diamine palladium(II (2b, N,N′-bis(3,5-di-tert-butylsalicylidenepropane-1,3-diamine palladium(II (2c, and N,N′-bis(4-methoxy-salicylidenepropane-1,3-diamine palladium(II (2d, have been successfully synthesised and characterised by CHN elemental analyses and conventional spectroscopic methods. These complexes were investigated as catalysts in the phosphine-free Mizoroki-Heck cross-coupling reactions of aryl bromides with methyl acrylate.

Evaluation of the nuclear cross sections for the reactions: /sup 93/Nb(n,2n)sup(92M)Nb and /sup 93/Nb(n,2n)/sup 92/Nb from threshold to 20 MeV

Energy Technology Data Exchange (ETDEWEB)

Philis, C; Young, P G

1975-07-01

A preliminary evaluation of the nuclear cross section for the reactions /sup 93/Nb(n,2n)sup(92M)Nb and /sup 93/Nb(n,2n)/sup 92/Nb has been completed from threshold to 20 MeV. The evaluation is based entirely on experimental results. The recommended values were determined after analysis, selection, and normalization of the measurements to a consistent set of standards. The evaluated data are discussed and compared with theoretical values and estimates of the uncertainty in the adopted data are provided.

Formation of cyclic 1,N2-propanodeoxyguanosine and thymidine adducts in the reaction of the mutagen 2-bromoacrolein with calf thymus DNA

International Nuclear Information System (INIS)

Meerman, J.H.; Smith, T.R.; Pearson, P.G.; Meier, G.P.; Nelson, S.D.

1989-01-01

The interaction of the mutagen 2-bromoacrolein (2BA) with DNA and thymidine was studied in vitro by reaction of [3-3H]2BA with thymidine, RNA, single-stranded DNA, and double-stranded DNA in phosphate buffer (pH 7.4). After purification of the nucleic acids, they were incubated at alkaline pH to convert any (hydroxybromo)propano(deoxy)-guanosine adducts to their dihydroxy analogues. After acid or enzymatic hydrolysis, the hydrolysates were analyzed by reversed-phase high-performance liquid chromatography. At a concentration of 1.6 mM, the fraction of 2BA that became covalently bound to DNA was 2.3% of the amount added. Only 3% of the radioactivity bound to DNA after extensive purification could be accounted for as cyclic 1,N2-(6,7-dihydroxy)-propanoguanine adducts. More 2BA became covalently bound to single-stranded DNA and RNA as compared with double-stranded DNA. However, high-performance liquid chromatographic analyses showed that formation of cyclic 1,N2-(6,7-dihydroxy)propanoguanine adducts was also a minor reaction with these macromolecules. Because these data showed that other type(s) of reaction(s) are more important in the reaction of 2BA with nucleic acids, we have investigated the reaction of 2BA with other nucleosides. It was found that 2BA reacted well with thymidine in vitro, and the major product was identified by 500 MHz 1H and 75.43 MHz 13C nuclear magnetic resonance and thermospray mass spectrometry as 3-(2-bromo-3-oxopropyl)thymidine. This adduct was unstable and decomposed upon storage. After enzymatic hydrolysis of [3H]2BA-modified double-stranded DNA and subsequent analysis of the hydrolysate by high-performance liquid chromatography, 22% of the covalently bound radioactivity to DNA coeluted with decomposition products of the 3-(bromooxypropyl)thymidine adduct

Reactions of N,N'-bis(2-hydroxyethyl)oxalamide with Ethylene Carbonate and Use of the Obtained Products as Components of Polyurethanes Foams

International Nuclear Information System (INIS)

Niemiec, I.Z.

2010-01-01

N,N'-bis(2-hydroxyethyl)oxalamide (BHEOA) was subject to hydroxy alkylation with ethylene carbonate (EC). By means of instrumental methods (IR, 1H-NMR, MALDI ToF, GC, and GC-MS), an influence of the reaction conditions on structure and compositions of the obtained products was investigated. The hydroxyalkyl and hydroxy alkoxy derivatives of oxalamide (OA) were obtained by reaction of BHEOA with 210-molar excess of ethylene carbonate (EC, 1,3-dioxolane-2-one). The products have a good thermal stability and possess suitable physical properties as substrates for foamed polyurethanes. The obtained products were used in manufacturing the rigid polyurethane foams which possess enhanced thermal stability and good mechanical properties.

Quasi-free scattering in the 2H(α,αn)1H reaction

International Nuclear Information System (INIS)

Kornilov, V.A.; Sokolov, M.V.; Terenetskij, K.O.

1977-01-01

The applicability of the Roggers-Sailor (RS) attenuation model to a description of a quasi-free αn scattering in the 2 H (α, αn) 1 H reaction is discussed. The two-dimensional α n coincidence energy spectra were measured in complanar geometry at incident alpha-particle energy of 27.2 MeV. Measured absolute cross sections of deuteron disitegration by alpha-particles in the kinematic region of quasi-free αn scattering are presented. The calculations according to the RS model and those according to the plane-wave momentum approximation (PWMA) are compared with the experimental results. The PWMA calculations are not consistent with the experiment. The RS model calculations are in a satisfactory agreement with the experimental data. It is concluded that the multiple scattering effects in the quasi-free scattering accompanying the deuteron disintegration by alpha particles at 27.2 MeV are important and can be qualitatively reproduced by the RS model. The disintegration of deuteron by a proton is better described by this model than disintegration by an alpha particle

Mechanism of the CO2-Ca(OH)2 reaction

International Nuclear Information System (INIS)

Chew, V.S.; Cheh, C.H.; Glass, R.W.

1983-01-01

Recent studies clearly showed the importance of moisture in achieving high Ca(OH) 2 absorbent utilization for removing CO 2 from gas streams at ambient temperatures. However, the role of moisture and the mechanism of the reaction was not well understood. This paper summarizes the results of a study of the mechanism of the CO 2 -Ca(OH) 2 reaction with emphasis on the role of moisture. The reaction between Ca(OH) 2 and CO 2 in moist N 2 was found to be first order with respect to the reactants with a rate constant of about 100 min -1 . At high humidities, the rate of reaction was chemically controlled, but at low humidities, the reaction rate was limited by the diffusion through the carbonate layer formed by the reaction. Calculations showed that capillary condensation could have occurred only in about 2% of the pore volume and was unlikely to have affected the reaction rate significantly by allowing the reaction to occur in the liquid phase. It was, therefore, concluded that the main role of moisture was to improve the Ca(OH) 2 utilization by lowering the resistance to diffusion through the carbonate layer

N-nitrosodimethylamine (NDMA) formation during ozonation of N,N-dimethylhydrazine compounds: Reaction kinetics, mechanisms, and implications for NDMA formation control.

Science.gov (United States)

Lim, Sungeun; Lee, Woongbae; Na, Soyoung; Shin, Jaedon; Lee, Yunho

2016-11-15

Compounds with N,N-dimethylhydrazine moieties ((CH 3 ) 2 N-N-) form N-nitrosodimethylamine (NDMA) during ozonation, but the relevant reaction chemistry is hitherto poorly understood. This study investigated the reaction kinetics and mechanisms of NDMA formation during ozonation of unsymmetrical dimethylhydrazine (UDMH) and daminozide (DMZ) as structural model N,N-dimethylhydrazine compounds. The reaction of ozone with these NDMA precursor compounds was fast, and k O3 at pH 7 was 2 × 10 6  M -1  s -1 for UDMH and 5 × 10 5  M -1  s -1 for DMZ. Molar NDMA yields (i.e., Δ[NDMA]/Δ[precursor] × 100) were 84% and 100% for UDMH and DMZ, respectively, determined at molar ozone dose ratio ([O 3 ] 0 /[precursor] 0 ) of ≥4 in the presence of tert-butanol as hydroxyl radical (OH) scavenger. The molar NDMA yields decreased significantly in the absence of tert-butanol, indicating OH formation and its subsequent reaction with the parent precursors forming negligible NDMA. The k OH at pH 7 was 4.9 × 10 9  M -1  s -1 and 3.4 × 10 9  M -1  s -1 for UDMH and DMZ, respectively. Reaction mechanisms are proposed in which an ozone adduct is formed at the nitrogen next to N,N-dimethylamine which decomposes via homolytic and heterolytic cleavages of the -N + -O-O-O - bond, forming NDMA as a final product. The heterolytic cleavage pathway explains the significant OH formation via radical intermediates. Overall, significant NDMA formation was found to be unavoidable during ozonation or even O 3 /H 2 O 2 treatment of waters containing N,N-dimethylhydrazine compounds due to their rapid reaction with ozone forming NDMA with high yield. Thus, source control or pre-treatment of N,N-dimethylhydrazine precursors and post-treatment of NDMA are proposed as the mitigation options. Copyright © 2016 Elsevier Ltd. All rights reserved.

SYNTHESIS AND STRUCTURAL FEATURES OF NOVEL VANADIUM(II) AMIDES - X-RAY STRUCTURES OF OCTAHEDRAL [(2-C5H4N)(CH3)N]2V(TMEDA) (TMEDA=N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE) AND SQUARE-PYRAMIDAL [2,5-(CH3)2C4H2N]2V(PY)3 (PY=PYRIDINE)

NARCIS (Netherlands)

EDEMA, JJH; GAMBAROTTA, S; MEETSMA, A; SPEK, AL; VELDMAN, N

1991-01-01

The reaction of trans-(TMEDA)2VCl2 (TMEDA = N,N,N',N'-tetramethylethylenediamine) with both mono- and bidentate alkali-metal amides has been investigated. Utilization of 2 equiv of bidentate amide (N segment N)-M [M = Li, Na; N segment N = 2-?? (MeN)C5H4N (1), PhNNNPh (2), 7-azaindolyl (3),

N2O + CO reaction over Si- and Se-doped graphenes: An ab initio DFT study

International Nuclear Information System (INIS)

Gholizadeh, Reza; Yu, Yang-Xin

2015-01-01

Graphical abstract: Si-doped graphene can be one of efficient green catalysts for conversion of the airborne pollutants. - Highlights: • N 2 O can be efficiently reduced by CO over Si-doped graphenes. • Enough charge transferred from Si to N 2 O makes the N 2 –O bond break easily. • Si-doped graphene is efficient green catalysts for conversion of the airborne pollutants. • vdW interaction and ZPE energy significantly influence the predictions of activation energies. - Abstract: Catalytic conversion of non-CO 2 green house gases and other harmful gases is a promising way to protect the atmospheric environment. Non-metal atom-doped graphene is attractive for use as a catalyst in the conversion due to its unique electronic properties, relatively low price and leaving no burden to the environment. To make an attempt on the development of green catalysts for the conversion, ab initio density functional theory is used to investigate the mechanisms of N 2 O reduction by CO on Si- and Se-doped graphenes. We have calculated the geometries and adsorption energies of reaction species (N 2 O, CO, N 2 and CO 2 ) as well as energy profiles along the reaction pathways. The activation energies of N 2 O decomposition and CO oxidation on both Si- and Se-doped graphenes have been obtained. Our calculated results indicate that the catalytic activity of Si-doped graphene is better than the Fe + in gas phase and comparable to the single Fe atom embedded on graphene. In the calculations, we found that van der Waals interactions and zero-point energy are two non-negligible factors for the predictions of the activation energies. Further discussion shows that Si-doped graphene can be one of efficient green catalysts for conversion of the airborne pollutants and Se-doped graphene can be a candidate for oxidizing CO by atomic oxygen.

Evaluation of 54Fe(n,2n)53m+gFe reaction cross sections for high energy dosimetry applications

International Nuclear Information System (INIS)

Zolotarev, K.I.; Pashchenko, A.B.

2001-01-01

The new evaluation of excitation function for the high energy threshold 54 Fe(n,2n) 53m+g Fe dosimetry reaction in the energy range from the threshold to 20 MeV is briefly described. The cross section uncertainties and the covariance matrix were estimated simultaneously from the analysis. The adopted curve is compared to the available processed experimental data and the existing FEI-93, ENDF/B-VI and JENDL-3.2 evaluations. The ENDF-6 formatted data file is available from the Web site of the Russian Nuclear Data Center (RNDC) online (http://www.rndc.ippe.obninsk.ru). (author)

Chemical reaction dynamics of Rydberg atoms with neutral molecules: A comparison of molecular-beam and classical trajectory results for the H(n)+D2→HD+D(n') reaction

International Nuclear Information System (INIS)

Song Hui; Dai Dongxu; Wu Guorong; Wang, C.-C.; Harich, Steven A.; Hayes, Michael Y.; Wang Xiuyan; Gerlich, Dieter; Yang Xueming; Skodje, Rex T.

2005-01-01

Recent molecular-beam experiments have probed the dynamics of the Rydberg-atom reaction, H(n)+D 2 →HD+D(n) at low collision energies. It was discovered that the rotationally resolved product distribution was remarkably similar to a much more limited data set obtained at a single scattering angle for the ion-molecule reaction H + +D 2 →D + +HD. The equivalence of these two problems would be consistent with the Fermi-independent-collider model (electron acting as a spectator) and would provide an important new avenue for the study of ion-molecule reactions. In this work, we employ a classical trajectory calculation on the ion-molecule reaction to facilitate a more extensive comparison between the two systems. The trajectory simulations tend to confirm the equivalence of the ion+molecule dynamics to that for the Rydberg-atom+molecule system. The theory reproduces the close relationship of the two experimental observations made previously. However, some differences between the Rydberg-atom experiments and the trajectory simulations are seen when comparisons are made to a broader data set. In particular, the angular distribution of the differential cross section exhibits more asymmetry in the experiment than in the theory. The potential breakdown of the classical model is discussed. The role of the 'spectator' Rydberg electron is addressed and several crucial issues for future theoretical work are brought out

E1-E2 interference in /sup 159/Tb(γ,n) and /sup 209/Bi(γ,n) reactions

International Nuclear Information System (INIS)

Birenbaum, Y.; Berant, Z.; Kahane, S.; Moreh, R.; Wolf, A.

1986-01-01

Angular distributions of fast neutrons from the (γ,n) reactions on /sup 159/Tb and /sup 209/Bi were measured. Gamma sources in the 7--11.4 MeV range were obtained from (n,γ) reactions using thermal neu- trons. Pronounced asymmetries around 90 0 were observed for the angular distributions of photoneu- trons leading to the ground and a few excited states, in both the spherical /sup 209/Bi and the deformed /sup 159/Tb nuclei. These asymmetries indicate strong and similar E1-E2 interference effects in the two nuclei. The direct-semidirect model was modified to be used for target nuclei with one proton outside an even-even core. From a detailed comparison of the data with calculations using the modified direct-semidirect model, the contributions of different partial waves are estimated. Contributions of the compound nucleus process are included, and are shown to affect to some extent the calculated angular distribution's energy dependence

Uptake properties of Ni2+ by nCaO.Al2O3.2SiO2 (n=1-4) prepared from solid-state reaction of kaolinite and calcite.

Science.gov (United States)

Jha, Vinay Kumar; Kameshima, Yoshikazu; Nakajima, Akira; Okada, Kiyoshi; MacKenzie, Kenneth J D

2005-08-31

A series of nCaO.Al2O3.2SiO2 samples (n=1-4) were prepared by solid-state reaction of mechanochemically treated mixtures of kaolinite and calcite fired at 600-1000 degrees C for 24 h. All the samples were X-ray amorphous after firing at 600-800 degrees C but had crystallized by 900 degrees C. The main crystalline phases were anorthite (n=1), gehlenite (n=2 and 3) and larnite (n=4). The uptake of Ni2+ by nCaO.Al2O3.2SiO2 samples fired at 800 and 900 degrees C was investigated at room temperature using solutions with initial Ni2+ concentrations of 0.1-50 mmol/l. Amorphous samples (fired at 800 degrees C) showed a higher Ni2+ uptake capacity than crystalline samples (fired at 900 degrees C). Ni2+ uptake was found to increase with increasing of CaO content. Amorphous 4CaO.Al2O3.2SiO2 showed the highest Ni2+ uptake capacity (about 9 mmol/g). The Ni2+ uptake abilities of the present samples are higher than those of other materials reported in the literature. Since the sorbed Ni2+/released Ca2+ ratios of these samples are close to unity, ion replacement of Ni2+ for Ca2+ is thought to be the principal mechanism of Ni2+ uptake by the present samples.

Study of the 27Al(n,2,)26Al reaction via accelerator mass spectrometry

International Nuclear Information System (INIS)

Wallner, A.

2000-06-01

The excitation function for the 27 Al(n,2n) 26 Al reaction is expected to show a strongly non-linear behavior in the neutron-energy region around 14 MeV, the neutron energy in D-T plasmas; thus the production rate of 26 Al (t 1/2 =7.2*10 5 a) in D-T fusion environments can in principle be used to measure the temperature of such plasmas. Existing measurements, however, are strongly discordant. Therefore, a new accurate measurement of the 27 Al(n,2n) 26 Al cross sections in the near threshold region (E n =13.5-14.8 MeV) was performed with the goal to achieve relative cross sections with the highest accuracy possible. In addition, the measurements were also designed to provide good absolute cross-section values, as absolute cross sections are important for radioactive waste predictions. Samples of Al metal were irradiated with neutrons in the energy range near threshold (E th =13.55 MeV) at the Radiuminstitutes of both Vienna and St. Petersburg, and in Tokai-mura, Japan. In Tuebingen irradiations with neutrons of higher energies (17 and 19 MeV) were performed. The amount of 26 Al produced during the irradiations was measured via accelerator mass spectrometry (AMS) at the Vienna Environmental Research Accelerator (VERA). This work represents the first 26 Al measurements for this new facility. With this system, a background as low as 3*10 -15 for 26 Al/ 27 Al isotope ratios was obtained, corresponding to a (n,2n) cross section of 0.04 mb. Utilizing AMS, cross sections with much higher precision and considerably closer to the threshold than in previous investigations could be measured. The prerequisite for its application as a temperature monitor, namely a very well known shape of the excitation function was met. A quantitative prediction of the sensitivity of this method for monitoring the temperature in a D-T fusion plasma was therefore possible. For thermal plasmas temperature changes in the order of 5 to 15 % should be detectable. An even higher sensitivity was found

Mechanism of the reactions 14N(d,p)15N and 14N(d,n)15O by Doppler shift line shape method

International Nuclear Information System (INIS)

Abdel-Moneim, A.M.

1976-06-01

In this investigation the total and the differential absolute cross sections of the 14 N(d,p) 15 N reaction leading to excited states at 7.3, 8.3 and 9.05 MeV levels in 15 N and the 14 N(d,n) 15 O reaction leading to the 6.79 MeV level in 15 O, have been studied over the energy range from 0.5 MeV to 3 MeV. Doppler shift line shape method as well as γ-ray yield measurements have been used. The absolute cross sections are determined relative to the known 14 N(p,p) elastic differential cross sections. A comparison with previously determined values for the same reactions at selected energies shows good agreement in angular distribution as well as in absolute values. The total cross section for the d,p reaction shows a general energy dependence which is typical for direct reactions, but with minor contribution from compound nucleus formation at certain energy ranges. For the 14 N(d,n) 15 N reaction, the method applied is unique, since it allows the differential cross section to be studied all the way down to the threshold energy of deuterons at 2 MeV, with a detectorsystem efficiency which is constant over the entire range of neutron energies. The larger part of the energy range that has been investigated is dominated by a resonance at 2.55 π+ 0.05 MeV deuteron energy and a halfwidth depending on the amount of contribution from the direct reaction of the order of 200-400 keV. (JIW)

Precise 238U(n,2n)237U reaction cross-section measurements using the activation facility at TUNL

Science.gov (United States)

Krishichayan, Fnu; Bhike, M.; Tornow, W.

2014-09-01

Accurate neutron-induced 238U(n,2n)237U reaction data are required for many practical applications, especially in the field of nuclear energy, including advanced heavy water reactors, where 238U is used as the breeding material to regenerate the fissile material 239Pu. Precise (n,2n) cross-section measurements of 238U are underway at TUNL with mono-energetic neutrons in the 8.0 to 14.0 MeV energy range in steps of 0.25 MeV using the activation technique. After activation of the 0.5 inch diameter and 442 mg 238U foil, the activity of the 208 keV characteristic γ-line is tracked for 6 weeks with a high efficient HPGe clover detector to determine the initial activity needed for the cross-section determination. Results of the cross-section measurements, determined relative to 27Al and 197Au neutron activation monitor foils, and the comparison with theoretical models will be presented during the meeting.

Highly selective transformation of ammonia nitrogen to N2 based on a novel solar-driven photoelectrocatalytic-chlorine radical reactions system.

Science.gov (United States)

Ji, Youzhi; Bai, Jing; Li, Jinhua; Luo, Tao; Qiao, Li; Zeng, Qingyi; Zhou, Baoxue

2017-11-15

A highly selective method for transforming ammonia nitrogen to N 2 was proposed, based on a novel solar-driven photoelectrocatalytic-chlorine radical reactions (PEC-chlorine) system. The PEC-chlorine system was facilitated by a visible light response WO 3 nanoplate array (NPA) electrode in an ammonia solution containing chloride ions (Cl - ). Under illumination, photoholes from WO 3 promote the oxidation of Cl - to chlorine radical (Cl). This radical can selectively transform ammonia nitrogen to N 2 (79.9%) and NO 3 - (19.2%), similar to the breakpoint chlorination reaction. The ammonia nitrogen removal efficiency increased from 10.6% (PEC without Cl - ) to 99.9% with the PEC-chlorine system within 90 min operation, which can be attributed to the cyclic reactions between Cl - /Cl and the reaction intermediates (NH 2 , NHCl, etc.) that expand the degradation reactions from the surface of the electrodes to the whole solution system. Moreover, Cl is the main radical species contributing to the transformation of ammonia nitrogen to N 2 , which is confirmed by the tBuOH capture experiment. Compared to conventional breakpoint chlorination, the PEC-chlorine system is a more economical and efficient means for ammonia nitrogen degradation because of the fast removal rate, no additional chlorine cost, and its use of clean energy (since it is solar-driven). Copyright © 2017 Elsevier Ltd. All rights reserved.

Determination of the rate coefficient for the N2/+/ + O reaction in the ionosphere

Science.gov (United States)

Torr, D. G.; Torr, M. R.; Orsini, N.; Hanson, W. B.; Hoffman, J. H.; Walker, J. C. G.

1977-01-01

Using approximately 400 simultaneous measurements of ion and neutral densities and temperatures, and the spectrum of the solar flux measured by the Atmosphere Explorer C satellite, we have determined the rate constant k1 for the reaction between N2(+) and O in the ionosphere for ion temperatures between 600 and 700 K. We find that k1 = 1.1 x 10 to the minus 10th power cu cm per sec, with a standard deviation of + or - 15%. If we use the temperature dependence for this reaction determined in the laboratory then at 300 K we find excellent agreement with the recommended laboratory value.

N-Heterocyclic-Carbene-Catalysed Diastereoselective Vinylogous Mukaiyama/Michael Reaction of 2-(Trimethylsilyloxy)furan and Enones

KAUST Repository

Wang, Ying; Du, Guang Fen; Xing, Fen; Huang, Kuo-Wei; Dai, Bin; He, Lin

2015-01-01

N-heterocyclic carbenes have been utilised as highly efficient nucleophilic organocatalysts to mediate vinylogous Mukaiyama/Michael reactions of 2-(trimethylsilyloxy)furan with enones to afford γ-substituted butenolides in 44-99% yield with 3:1-32:1 diastereoselectivity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

N-Heterocyclic-Carbene-Catalysed Diastereoselective Vinylogous Mukaiyama/Michael Reaction of 2-(Trimethylsilyloxy)furan and Enones

KAUST Repository

Wang, Ying

2015-10-15

N-heterocyclic carbenes have been utilised as highly efficient nucleophilic organocatalysts to mediate vinylogous Mukaiyama/Michael reactions of 2-(trimethylsilyloxy)furan with enones to afford γ-substituted butenolides in 44-99% yield with 3:1-32:1 diastereoselectivity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Novel Reaction of N,N'-Bisarylmethanediamines with Formaldehyde. Synthesis of Some New 1,3,5-Triaryl-1,3,5-hexahydrotriazines

Directory of Open Access Journals (Sweden)

Abolfazl Olyaei

2006-07-01

Full Text Available The acid-catalyzed cyclocondensation of N,N'-bisaryl (aryl = 2-pyrimidinyl, 2- pyrazinyl and 4-nitrophenyl methanediamines 5a-c with aqueous formaldehyde in refluxing acetonitrile leads to the formation of the corresponding 1,3,5-triaryl-1,3,5-hexa- hydrotriazines 6a-c. The stoichiometric reactions of 2-aminopyrimidine and 2-amino- pyrazine with aqueous formaldehyde in acetonitrile under reflux conditions also afforded 6a and 6b, respectively. Treatment of 2-aminopyrimidine with aqueous formaldehyde in a 3:2 ratio yielded N,N',N"-tris(2-pyrimidinyldimethylenetriamine (7a as a sole product, which upon subsequent reaction with formaldehyde also afforded 6a. The reaction of N,N'-biphenylmethanediamine with formaldehyde was also investigated.

2H(d,p)3H and 2H(d,n)3He reactions at sub-coulomb energies

International Nuclear Information System (INIS)

Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Spartá, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.

2012-01-01

The 2 H( 3 He,p 3 H) 1 H and 2 H( 3 He,n 3 He) 1 H processes have been measured in quasi free kinematics to investigate for the first time the 2 H(d,p) 3 H and 2 H(d,n) 3 He reactions by means of the Trojan Horse Method. The 3 He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4±1.8 MeVb for 3 H+p and 60.1±1.9 MeVb for 3 He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

Calculations of radiation defect formation cross sections in reactor materials in (n,p) and (n,α) reactions

International Nuclear Information System (INIS)

Kupchishin, A.A.; Kupchishin, A.I.; Omarbekova, Zh.

2001-01-01

In the work an experimental data analysis by integral σ(E 1 ) and differential [dσ(E 1 ,E 2 )]/dE 2 neutron interaction cross sections with reactor materials with the secondary protons and alpha particles generation as well as with the primarily knock-on atoms production in such reactions are carried out. It is shown, that in the (n,p) and (n',α) reactions the recoil nuclei receive essential energy portion and they are the patriarchs for atom-atom cascades in the substance. Nuclear reactions with formation of the secondary α-particles and and recoil nuclei are considered. It is shown, that these reactions are effectively proceeding within neutrons energy range 0.3-15 MeV. The nuclear reactions kinematics of above mentioned processes is studied. Energy conservation law for these reaction is applied. Deferential cross section conservation and transformation law for radiation defect formation in the (n,α) reaction are considered as well

Cross-sections for the formation of isomeric pair {sup 75}Ge{sup m,g} through (n, 2n), (n, p) and (n, {alpha}) reactions measured over 13.73 MeV to 14.77 MeV and calculated from near threshold to 20 MeV neutron energies

Energy Technology Data Exchange (ETDEWEB)

Attar, F.M.D.; Dhole, S.D. [Department of Physics, University of Pune, Pune-411007 (India); Kailas, S. [Nuclear Physics Division, BARC, Mumbai-400085 (India); Bhoraskar, V.N. [Department of Physics, University of Pune, Pune-411007 (India)], E-mail: vnb@physics.unipune.ernet.in

2009-09-15

The cross-sections for formation of isomeric pair, {sup 75}Ge{sup m}({sigma}{sub m}) and {sup 75}Ge{sup g}({sigma}{sub g}), through {sup 76}Ge(n, 2n), {sup 75}As(n, p) and {sup 78}Se(n, {alpha}) reactions were measured at 13.73 MeV, 14.42 MeV and 14.77 MeV neutrons and also estimated using EMPIRE-II and TALYS codes over neutron energies from near threshold to 20 MeV. For each (n, 2n), (n, p) and (n, {alpha}) reaction, the cross-section initially increases with neutron energy, but starts decreasing as the neutron energy exceeds the respective threshold of (n, 3n), (n, pn) and (n, {alpha}n) reactions. The higher values of {sigma}{sub m} relative to {sigma}{sub g} reveal that the transitions of the excited {sup 75}Ge from higher energy levels to metastable state (7{sup +}/2) are favored as compared to unstable ground state (1{sup -}/2). The present values of cross sections for formation of {sup 75}Ge{sup m,g} through (n, 2n) and (n, {alpha}) reactions are lower, and that of (n, p) reaction are higher compared to most of the corresponding literature cross-sections.

An ab initio potential energy surface for the reaction N+ + H2→ NH+ + H

International Nuclear Information System (INIS)

Gittins, M.A.; Hirst, D.M.

1975-01-01

Preliminary results of ab initio unrestricted Hartree-Fock calculations for the potential energy surface for the reaction N + + H 2 →NH + + H are reported. For the collinear approach of N + to H 2 , the 3 Σ - surface has no activation barrier and has a shallow well (ca.1eV). For perpendicular approach (Csub(2V)symmetry) the 3 B 2 states is of high energy, the 3 A 2 state has a shallow well but as the bond angle increases the 3 B 1 states decreases in energy to become the state of lowest energy. Neither the collinear nor the perpendicular approaches give adiabatic pathways to the deep potential well of 3 B 1 (HNH) + . (auth.)

Study of the quasi-free scattering at the reaction 2H(p,2p)n at Esub(p)0 = 14.1 MeV

International Nuclear Information System (INIS)

Helten, H.J.

1980-01-01

The breakup reaction 2 H(p,2p)n was studied at Ep = 14.1 MeV in complete coincidence experiments on quasifree pp scattering in a systematic range of cinematic situations of the pp-subsystem for c.m. production angles between 90 0 and 140 0 and different violation of the quasifree condition as well on interferences with final-state interaction processes. The absolute differential breakup cross section was compared with approximate solutions of the Faddeev equations with separable s-wave potentials without explicite Coulomb interaction according to Ebenhoeh. The agreement is generally good referring to the form of the spectra, but the theoretical amplitude is in the mean 20% to high. The permanent independence of the quasifree breakup from the scattering parameter asub(pp) doesn't suggest to use this process for the determination of nn-scattering lengths from the mirror reaction 2 H(n,2n)p. (orig.)

239Pu(n, 2n) and 241Pu(n, 2n) surrogate cross section measurements using NeutronSTARS

Energy Technology Data Exchange (ETDEWEB)

Burke, J. T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Alan, B. S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Akindele, O. A. [Univ. of California, Berkeley, CA (United States); Casperson, R. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hughes, R. O. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Koglin, J. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tamashiro, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Oregon State Univ., Corvallis, OR (United States); Kolos, K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Norman, E. B. [Univ. of California, Berkeley, CA (United States); Saastamoinen, A. [Univ. of California, Los Angeles, CA (United States); Padilla, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Univ. of California, Los Angeles, CA (United States); Fisher, S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-12-08

The goal of this project was to develop a new approach to measuring (n,2n) reactions for isotopes of interest. We set out to measure the ²³⁹Pu(n,2n) and ²⁴¹Pu(n,2n) cross sections by directly detecting the 2n neutrons that are emitted. With the goal of improving the ²³⁹Pu(n,2n) cross section and to measure the ²⁴¹Pu(n,2n) cross section for the first time. To that end, we have constructed a new neutron-charged-particle detector array called NeutronSTARS. It has been described extensively in Casperson et al. [1] and in Akindele et al. [2]. We have used this new neutron-charged-particle array to measure the ²⁴¹Pu and ²³⁹Pu fission neutron multiplicity as a function of equivalent incident-neutron energy from 100 keV to 20 MeV. We have made a preliminary determination of the ²³⁹Pu(n,2n) and ²⁴¹Pu(n,2n) cross sections from the surrogate ²⁴⁰Pu(α,α’2n) and ²⁴²Pu(α,α’2n) reactions respectively. The experimental approach, detector array, data analysis, and results to date are summarized in the following sections.

N-Alkylation by Hydrogen Autotransfer Reactions.

Science.gov (United States)

Ma, Xiantao; Su, Chenliang; Xu, Qing

2016-06-01

Owing to the importance of amine/amide derivatives in all fields of chemistry, and also the green and environmentally benign features of using alcohols as alkylating reagents, the relatively high atom economic dehydrative N-alkylation reactions of amines/amides with alcohols through hydrogen autotransfer processes have received much attention and have developed rapidly in recent decades. Various efficient homogeneous and heterogeneous transition metal catalysts, nano materials, electrochemical methods, biomimetic methods, asymmetric N-alkylation reactions, aerobic oxidative methods, and even certain transition metal-free, catalyst-free, or autocatalyzed methods, have also been developed in recent years. With a brief introduction to the background and developments in this area of research, this chapter focuses mainly on recent progress and technical and conceptual advances contributing to the development of this research in the last decade. In addition to mainstream research on homogeneous and heterogeneous transition metal-catalyzed reactions, possible mechanistic routes for hydrogen transfer and alcohol activation, which are key processes in N-alkylation reactions but seldom discussed in the past, the recent reports on computational mechanistic studies of the N-alkylation reactions, and the newly emerged N-alkylation methods based on novel alcohol activation protocols such as air-promoted reactions and transition metal-free methods, are also reviewed in this chapter. Problems and bottlenecks that remained to be solved in the field, and promising new research that deserves greater future attention and effort, are also reviewed and discussed.

Wide angular range study of the reaction /sup 16/O( pi /sup -/, 2n) /sup 14/N with stopped pions

CERN Document Server

Bassalleck, B; Furic, M; Klotz, W D; Lewis, C W; Takeutchi, F; Ullrich, H

1980-01-01

A first kinematically complete investigation of the reaction /sup 16/O ( pi /sup -/, 2n)/sup 14/N with stopped pions has been performed at the CERN SC over a wide angular range. Measured distributions in excitation energy of the residual nucleus, recoil momentum, and angle between the two neutrons are presented. They are compared with theoretical predictions on two-hole states and with detailed calculations on the quasi-free two-nucleon absorption process. (34 refs).

The uranium(VI) oxoazides [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN], [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}], [(bipy)UO{sub 2}(N{sub 3}){sub 3}]{sup -}, [UO{sub 2}(N{sub 3}){sub 4}]{sup 2-}, and [(UO{sub 2}){sub 2}(N{sub 3}){sub 8}]{sup 4-}

Energy Technology Data Exchange (ETDEWEB)

Haiges, Ralf; Christe, Karl O. [Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, Los Angeles, CA (United States); Vasiliu, Monica; Dixon, David A. [Department of Chemistry, The University of Alabama, Tuscaloosa, AL (United States)

2017-01-12

The reaction between [UO{sub 2}F{sub 2}] and an excess of Me{sub 3}SiN{sub 3} in acetonitrile solution results in fluoride-azide exchange and the uranium(VI) dioxodiazide adduct [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] was isolated in quantitative yield. The subsequent reaction of [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] with 2,2{sup '}-bipyridine (bipy) resulted in the formation of the azido-bridged binuclear complex [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}]. The triazido anion [(bipy)UO{sub 2}(N{sub 3}){sub 3}]{sup -} was obtained by the reaction of [UO{sub 2}(N{sub 3}){sub 2}.CH{sub 3}CN] with stoichiometric amounts of bipy and the ionic azide [PPh{sub 4}][N{sub 3}]. The reaction of [UO{sub 2}(N{sub 3}){sub 2}] with two equivalents of the [PPh{sub 4}][N{sub 3}] resulted in the formation of the mononuclear tetraazido anion [UO{sub 2}(N{sub 3}){sub 4}]{sup 2-} as well as the azido-bridged binuclear anion [(UO{sub 2}){sub 2}(N{sub 3}){sub 8}]{sup 4-}. The novel uranium oxoazides were characterized by their vibrational spectra and in the case of [(bipy){sub 2}(UO{sub 2}){sub 2}(N{sub 3}){sub 4}].CH{sub 3}CN, [PPh{sub 4}][(bipy)UO{sub 2}(N{sub 3}){sub 3}], [PPh{sub 4}]{sub 2}[UO{sub 2}(N{sub 3}){sub 4}], [PPh{sub 4}]{sub 2}[UO{sub 2}(N{sub 3}){sub 4}].2CH{sub 3}CN, and [PPh{sub 4}]{sub 4}[(UO{sub 2}){sub 2}(N{sub 3}){sub 8}].4CH{sub 3}CN by their X-ray crystal structures. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Influence of ''inert'' diluent gases on the rate of carbon gasification. [Effect of N/sub 2/, Ar, or He diluent on reaction with O/sub 2/ or CO/sub 2/

Energy Technology Data Exchange (ETDEWEB)

Walker, P.L. Jr.; Pentz, L.; Biederman, D.L.; Vastola, F.J.

1977-01-01

The effect of diluent gases on gasification rates of the C--O/sub 2/ and C--CO/sub 2/ reactions has been studied. At equal starting pressures of reactant and diluent, rates for both reactions are: N/sub 2/ > Ar > He. For the C--CO/sub 2/ reaction, the presence of a diluent results in higher gasification rates than when no diluent is present in the order: Xe > N/sub 2/ > Ar. Possible reasons for the diluent effects are discussed.

Excited states in 22Mg via the 12C(12C,2n)22Mg reaction

International Nuclear Information System (INIS)

Jewett, Cybele; Baktash, Cyrus; Bardayan, Daniel W.; Blackmon, Jeff C.; Chipps, K.; Galindo-Uribarri, Alfredo; Greife, U.; Gross, Carl J.; Jones, K. L.; Liang, Junjien; Livesay, Jake; Kozub, R. L.; Nesaraja, Caroline D; Radford, David C.; Sarazin, F.; Smith, Michael Scott; Thomas, J. S.; Yu, Chang-Hong

2007-01-01

The 12C(12C, 2n)22Mg reaction was measured with the CLARION array and the RMS separator at the Holifield Facility of Oak Ridge National Laboratory. This experiment was performed to gather more information on the excited states in 22Mg, which might be of relevance to recent radioactive ion beam measurements of the astrophysically important 21Na(p,γ)22Mg reaction. The results are compared to direct measurements, transfer experiments and a competing experiment performed with Gammasphere

An investigation of the photosubstitution reaction between N719-dyed nanocrystalline TiO2 particles and 4-tert-butylpyridine

DEFF Research Database (Denmark)

Nour-Mohammadi, Farahnaz; Nguyen, Thai Hoang; Boschloo, Gerrit

2007-01-01

concentration. Based on this observation, a degradation mechanism was proposed, in which the reaction proceeds through the rate-determining formation of a common intermediate complex, I=[RuII(H2dcbpy)2(NCS)(NCS)]+. An average degradation rate of kdeg=6×10-3s-1 was obtained from the value of Φdeg and the back...... electron-transfer rate, kback of the reaction TiO2+e-|N719+→TiO2|N719, obtained by means of photo-induced absorption (PIA) measurements. The lifetime of the solar cell sensitizer N719 was estimated to be between 34 years, based on kdeg and an average literature value of the regeneration rate, kreg=2×106M-1...... simple model experiments. In these experiments, colloidal solutions of N719-dyed nanocrystalline TiO2 particles in acetonitrile were irradiated with 532-nm laser light in the presence of 0-1mol/l of 4-TBP. Five degradation products were identified using LC-ESI-MS: the 4-tert-butylpyridine substitution...

Micellar induced regioselectivity in the two-step consecutive reaction of SO3(2-) with Br-(CH2CH2)n-Br (n=2-5).

Science.gov (United States)

Currie, Fredrik; Jarvoll, Patrik; Holmberg, Krister; Romsted, Laurence S; Gunaseelan, Krishnan

2007-08-15

High field (800 MHz) (1)H NMR was used to monitor the two-step consecutive reaction of excess SO(3)(2-) with symmetrical bifunctional alpha,omega-dibromoalkanes with butane (DBB), hexane (DBH), octane (DBO), and decane (DBD) chains in CTAB micelles at 25 degrees C. The first-order rate constant for the first substitution step for DBB and DBH is about 5 times faster than for the second, but the kinetics for DBO and DBD were not cleanly first-order. After 40 min, the solution contained about 80% of the intermediate bromoalkanesulfonate from DBB and DBH and the remainder is alkanedisulfonate and unreacted starting material. The same reactions were carried out in homogeneous MeOH/D(2)O solutions at 50 degrees C. The rate constants for all four alpha,omega-dibromoalkanes were first-order throughout the time course of the reaction and the same within +/-10%. However, because micellar solutions are organized on the nanoscale and bring together lipophilic and hydrophilic reactants into a small reaction volume at the micellar interface, they speed this substitution reaction considerably compared to reaction in MeOH/D(2)O. The CTAB micelles also induce a significant regioselectivity in product formation by speeding the first step of the consecutive reaction more than the second. The results are consistent with the bromoalkanesulfonate intermediates having a radial orientation within the micelles with the -CH(2)SO(3)(-) group in the interfacial region and the -CH(2)Br group directed into the micellar core such that the concentration of -CH(2)Br groups in the reactive zone, i.e., the micellar interface, is significantly reduced. These results provide the first example of self-assembled surfactant system altering the relative rates of the reaction steps of a consecutive reaction and, in doing so, enhancing monosubstitution of a symmetrically disubstituted species.

Formation of simple nitrogen hydrides NH and NH2 at cryogenic temperatures through N + NH3→ NH + NH2 reaction: dark cloud chemistry of nitrogen.

Science.gov (United States)

Nourry, Sendres; Krim, Lahouari

2016-07-21

Although NH3 molecules interacting with ground state nitrogen atoms N((4)S) seem not to be a very reactive system without providing additional energy to initiate the chemical process, we show through this study that, in the solid phase, at very low temperature, NH3 + N((4)S) reaction leads to the formation of the amidogen radical NH2. Such a dissociation reaction previously thought to occur exclusively through UV photon or energetic particle irradiation is in this work readily occurring just by stimulating the mobility of N((4)S)-atoms in the 3-10 K temperature range in the solid sample. The N((4)S)-N((4)S) recombination may be the source of metastable molecular nitrogen N2(A), a reactive species which might trigger the NH3 dissociation or react with ground state nitrogen atoms N((4)S) to form excited nitrogen atoms N((4)P/(2)D) through energy transfer processes. Based on our obtained results, it is possible to propose reaction pathways to explain the NH2 radical formation which is the first step in the activation of stable species such as NH3, a chemical induction process that, in addition to playing an important role in the origin of molecular complexity in interstellar space, is known to require external energy supplies to occur in the gas phase.

Study of (α,p) and (α,n) reactions with a Multi-Sampling Ionization Chamber

International Nuclear Information System (INIS)

Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; Ayangeakaa, A. D.; Dickerson, C.

2017-01-01

Here, a large number of (α,p) and (α, n) reactions are known to play a fundamental role in nuclear astrophysics. This work presents a novel technique to study these reactions with the active target system MUSIC whose segmented anode allows the investigation of a large energy range of the excitation function with a single beam energy. In order to verify the method, we performed direct measurements of the previously measured reactions "1"7O (α, n) "2"0Ne, "2"3Na (α,p) "2"6Mg, and "2"3Na "2"6Al. These reactions were investigated in inverse kinematics using "4He gas in the detector to study the excitation functions in the energy range of about 2–6 MeV in the center of mass. We found good agreement between the cross sections of the "1"7O (α, n) "2"0Ne reaction measured in this work and previous measurements. Furthermore we have successfully performed a simultaneous measurement of the "2"3Na (α,p) "2"6Mg and "2"3Na (α, n) "2"6Al reactions.

Vibrational and rotational excitation effects of the N(2D) + D2(X1Σg +) → ND(X3Σ+) + D(2S) reaction

Science.gov (United States)

Zhu, Ziliang; Wang, Haijie; Wang, Xiquan; Shi, Yanying

2018-05-01

The effects of the rovibrational excitation of reactants in the N(2D) + D2(X1Σg+) → ND(X3Σ+) + D(2S) reaction are calculated in a collision energy range from the threshold to 1.0 eV using the time-dependent wave packet approach and a second-order split operator. The reaction probability, integral cross-section, differential cross-section and rate constant of the title reaction are calculated. The integral cross-section and rate constant of the initial states v = 0, j = 0, 1, are in good agreement with experimental data available in the literature. The rotational excitation of the D2 molecule has little effect on reaction probability, integral cross-section and the rate constant, but it increased the sideways and forward scattering signals. The vibrational excitation of the D2 molecule reduced the threshold and broke up the forward-backward symmetry of the differential cross-section; it also increased the forward scattering signals. This may be because the vibrational excitation of the D2 molecule reduced the lifetime of the intermediate complex.

Measurement of cross-sections of yttrium (n,xn) threshold reactions by means of gamma spectroscopy

CERN Document Server

Chudoba, Petr; Wagner, V; Vrzalova, J; Svoboda, O; Majerle, M; Stefanik, M; Suchopar, M; Kugler, A; Bielewicz, M; Strugalska-Gola, E; Szuta, M; Hervas, D; Herman, T; Geier, B

2014-01-01

Neutron activation and gamma spectrometry are usable also f or the determination of cross-sections of different neutron reactions. We have studied the cross-sections of yttrium (n, x n) threshold reactions using quasi-monoenergetic neutron source based on the reaction on 7 Li target at Nuclear Physics Institute of ASCR in Rez. Yttrium (n, x n) threshold reactions are suitable candidates for fast neutron field measurement by activation detectors. Fast neutron field monitoring is necessary already today at a wide range of accelerator facilities and will gain on importance in future fast reactors of generation IV, accelerator transmutation systems or fusion reactors. The knowledge of the cross-sections is crucial for such purpose. Unfortunately, the cross-section is sufficiently known only for 89 Y(n,2n) 88 Y reaction. For higher orders of reactions there are almost no experimental data. Special attention was paid to t he 89 Y(n,3n) 87 Y reaction. The cross-sections of both 89 Y(n,2n) 88 Y and 89 Y(n,3n) 87 Y re...

CH3CO + O2 + M (M = He, N2) Reaction Rate Coefficient Measurements and Implications for the OH Radical Product Yield.

Science.gov (United States)

Papadimitriou, Vassileios C; Karafas, Emmanuel S; Gierczak, Tomasz; Burkholder, James B

2015-07-16

The gas-phase CH3CO + O2 reaction is known to proceed via a chemical activation mechanism leading to the formation of OH and CH3C(O)OO radicals via bimolecular and termolecular reactive channels, respectively. In this work, rate coefficients, k, for the CH3CO + O2 reaction were measured over a range of temperature (241-373 K) and pressure (0.009-600 Torr) with He and N2 as the bath gas and used to characterize the bi- and ter-molecular reaction channels. Three independent experimental methods (pulsed laser photolysis-laser-induced fluorescence (PLP-LIF), pulsed laser photolysis-cavity ring-down spectroscopy (PLP-CRDS), and a very low-pressure reactor (VLPR)) were used to characterize k(T,M). PLP-LIF was the primary method used to measure k(T,M) in the high-pressure regime under pseudo-first-order conditions. CH3CO was produced by PLP, and LIF was used to monitor the OH radical bimolecular channel reaction product. CRDS, a complementary high-pressure method, measured k(295 K,M) over the pressure range 25-600 Torr (He) by monitoring the temporal CH3CO radical absorption following its production via PLP in the presence of excess O2. The VLPR technique was used in a relative rate mode to measure k(296 K,M) in the low-pressure regime (9-32 mTorr) with CH3CO + Cl2 used as the reference reaction. A kinetic mechanism analysis of the combined kinetic data set yielded a zero pressure limit rate coefficient, kint(T), of (6.4 ± 4) × 10(-14) exp((820 ± 150)/T) cm(3) molecule(-1) s(-1) (with kint(296 K) measured to be (9.94 ± 1.3) × 10(-13) cm(3) molecule(-1) s(-1)), k0(T) = (7.39 ± 0.3) × 10(-30) (T/300)(-2.2±0.3) cm(6) molecule(-2) s(-1), and k∞(T) = (4.88 ± 0.05) × 10(-12) (T/300)(-0.85±0.07) cm(3) molecule(-1) s(-1) with Fc = 0.8 and M = N2. A He/N2 collision efficiency ratio of 0.60 ± 0.05 was determined. The phenomenological kinetic results were used to define the pressure and temperature dependence of the OH radical yield in the CH3CO + O2 reaction. The

Controlled nitric oxide production via O(1D) + N2O reactions for use in oxidation flow reactor studies

Science.gov (United States)

Lambe, Andrew; Massoli, Paola; Zhang, Xuan; Canagaratna, Manjula; Nowak, John; Daube, Conner; Yan, Chao; Nie, Wei; Onasch, Timothy; Jayne, John; Kolb, Charles; Davidovits, Paul; Worsnop, Douglas; Brune, William

2017-06-01

Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH) radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O3) is photolyzed at 254 nm to produce O(1D) radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O3 hinders the ability of oxidation flow reactors to simulate NOx-dependent secondary organic aerosol (SOA) formation pathways. Simple addition of nitric oxide (NO) results in fast conversion of NOx (NO + NO2) to nitric acid (HNO3), making it impossible to sustain NOx at levels that are sufficient to compete with hydroperoxy (HO2) radicals as a sink for organic peroxy (RO2) radicals. We developed a new method that is well suited to the characterization of NOx-dependent SOA formation pathways in oxidation flow reactors. NO and NO2 are produced via the reaction O(1D) + N2O → 2NO, followed by the reaction NO + O3 → NO2 + O2. Laboratory measurements coupled with photochemical model simulations suggest that O(1D) + N2O reactions can be used to systematically vary the relative branching ratio of RO2 + NO reactions relative to RO2 + HO2 and/or RO2 + RO2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) measurements with nitrate (NO3-) reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NOx-influenced environments and in laboratory chamber experiments.

tri-n-butyltin hydride-mediated radical reaction of a 2-iodobenzamide: formation of an unexpected carbon-tin bond

International Nuclear Information System (INIS)

Oliveira, Marcelo T.; Alves, Rosemeire B.; Cesar, Amary; Prado, Maria Auxiliadora F.; Alves, Ricardo J.; Queiroga, Carla G.; Santos, Leonardo S.; Eberlin, Marcos N.

2007-01-01

The tri-n-butyltin hydride-mediated reaction of methyl 2,3-di-O-benzyl-4-O-trans-cinnamyl- 6-deoxy-6-(2-iodobenzoylamino)-α-D-galactopyranoside afforded an unexpected aryltributyltin compound. The structure of this new tetraorganotin(IV) product has been elucidated by 1 H, 13 C NMR spectroscopy, COSY and HMQC experiments and electrospray ionization mass spectrometry (ESI-MS). The formation of this new compound via a radical coupling reaction and a radical addition-elimination process is discussed. (author)

Relative rate study of the kinetics, mechanism, and thermodynamics of the reaction of chlorine atoms with CF3CF═CH2 (HFO-1234yf) in 650-950 Torr of N2 or N2/O2 diluent at 296-462 K.

Science.gov (United States)

Kaiser, E W; Wallington, T J

2012-06-21

The rate constant of the reaction Cl + CF(3)CF═CH(2) (k(1)) has been measured relative to several reference species using the relative rate technique with either gas chromatographic analysis with flame-ionization detection (GC/FID) or Fourier transform infrared (FTIR) analysis. Cl atoms were generated by UV irradiation of Cl(2)/CF(3)CF═CH(2)/reference/N(2)/O(2) mixtures. At 300-400 K in the presence of >20 Torr O(2), k(1) = 1.2 × 10(-11) e((+1100/RT)) cm(3) molecule(-1) s(-1). In N(2) diluent, k(1) has a sharp negative temperature coefficient resulting from the relatively small exothermicity of the following reactions: (1a) Cl + CF(3)CF═CH(2) ↔ CF(3)CFClCH(2)(•); (1b) Cl + CF(3)CF═CH(2) ↔ CF(3)CF(•)CH(2)Cl (reaction 1), which were determined in these experiments to be ∼16.5 (±2.0) kcal mol(-1). This low exothermicity causes reaction 1 to become significantly reversible even at ambient temperature. The rate constant ratio for the reaction of the chloroalkyl radicals formed in reaction 1 with Cl(2) (k(2)) or O(2) (k(3)) was measured to be k(2)/k(3) = 0.4 e(-(3000/RT)) for 300-400 K. At 300 K, k(2)/k(3) = 0.0026. The reversibility of reaction 1 combined with the small value of k(2)/k(3) leads to a sensitive dependence of k(1) on the O(2) concentration. Products measured by GC/FID as a function of temperature are CF(3)CFClCH(2)Cl, CF(3)COF, and CH(2)Cl(2). The mechanism leading to these products is discussed. The rate constant for the reaction Cl + CF(3)CFClCH(2)Cl (k(11)) was measured as a function of temperature (300-462 K) at 760 Torr to be k(11) = 8.2 × 10(-12) e(-(4065/RT)) cm(3) molecule(-1) s(-1). Rate constants relative to CH(4) for the reactions of Cl with the reference compounds CH(3)Cl, CH(2)Cl(2), and CHCl(3) were measured at 470 K to resolve a literature discrepancy. (R = 1.986 cal K(-1) mol(-1)).

Montecarlo calculation of the isomeric cross sections ratio for the reaction 237Np(n,2n)236Np

International Nuclear Information System (INIS)

Cleri, F.

1988-01-01

A Montecarlo calculation of the isomeric cross section ratio for the (n,2n) reaction on 237 Np has been carried out based on the Hauser-Feshbach formulation. A standard energy-dependent optical model potential was used, with zero deformation parameters and no spin-orbit coupling. Investigation was made about the role of the energy cut-off value, of the higher multipole (E2) transition, of the gamma-ray versus second neutron emission, of the value of the spin cutt-off parameter. The results give the correct qualitative energy dependence of the branching ratio, with the assumption that the 1 - level is the ground state. The spin cut-off value obtained indicates a less pronounced deviation of the nuclear moment of inertia from the rigid-body value, with respect to older evaluations for high-mass nuclei. (author)

Quantitative Analysis of Homogeneous Electrocatalytic Reactions at IDA Electrodes: The Example of [Ni(PPh2NBn2)2]2+

International Nuclear Information System (INIS)

Liu, Fei; Parkinson, B.A.; Divan, Ralu; Roberts, John; Liang, Yanping

2016-01-01

Interdigitated array (IDA) electrodes have been applied to study the EC’ (electron transfer reaction followed by a catalytic reaction) reactions and a new method of quantitative analysis of IDA results was developed. In this new method, currents on IDA generator and collector electrodes for an EC’ mechanism are derived from the number of redox cycles and the contribution of non-catalytic current. And the fractions of bipotential recycling species and catalytic-active species are calculated, which helps understanding the catalytic reaction mechanism. The homogeneous hydrogen evolution reaction catalyzed by [Ni(P Ph 2 N Bn 2 ) 2 ] 2+ (where P Ph 2 N Bn 2 is 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) electrocatalyst was examined and analyzed with IDA electrodes. Besides, the existence of reaction intermediates in the catalytic cycle is inferred from the electrochemical behavior of a glassy carbon disk electrodes and carbon IDA electrodes. This quantitative analysis of IDA electrode cyclic voltammetry currents can be used as a simple and straightforward method for determining reaction mechanism in other catalytic systems as well.

Determination of the 54Fe(n, 2n)53gFe and 54Fe(n, 2n)53mFe cross sections averaged over a 235U fission neutron spectrum

International Nuclear Information System (INIS)

Ribeiro Guevara, S.; Arribere, M.; Kestelman, A.J.

2002-01-01

The reaction cross sections averaged over a 235 U fission neutron spectrum have been measured for the 54 Fe(n, 2n) 53g Fe and 54 Fe(n, 2n) 53m Fe threshold reactions. The values found are, respectively: (1.14 ± 0.13) μb, and (0.52 ± 0.16) μb. The measured cross sections are referred to the (111± 3) mb standard cross section of the 58 Ni(n, p) 58m+g Co reaction. The (81.7 ± 2.2) mb standard cross section value for the 54 Fe(n, p) 54 Mn reaction, was also used as a monitor to check the results obtained with the Ni standard, leading to an excellent agreement. (author)

Investigation of (n,γ) reaction in hybrid reactor zones

International Nuclear Information System (INIS)

Guenay, Mehtap

2014-01-01

In this study, the fluids were composed with increased mole fractions of a mixture of molten salt: heavy metals 99-95 % Li 20 Sn 80 - 1-5 % SFG-Pu, 99-95 % Li 20 Sn 80 - 1-5 % SFG-PuF 4 , 99-95 % Li 20 Sn 80 - 1-5 % SFG-PuO 2 . In this study, the effect on conversion of each isotope ( 238-242 Pu) in spent fuel grade plutonium by (n,γ) reactions was investigated in liquid first wall, blanket and shield zones of the designed hybrid reactor system. Beryllium (Be) is the neutron multiplier by (n,2n) reactions. The Be zone used was 3 cm thick. 9Cr2WVT, a ferritic steel, is used as structural material. Three-dimensional nucleonic calculations were performed by using the most recent versions of the MCNPX-2.7.0 Monte Carlo code and the nuclear data library ENDF/B-VII.0.

Investigation of (n,γ) reaction in hybrid reactor zones

Energy Technology Data Exchange (ETDEWEB)

Guenay, Mehtap [Inoenue Univ., Malatya (Turkey). Physics Dept.

2014-12-15

In this study, the fluids were composed with increased mole fractions of a mixture of molten salt: heavy metals 99-95 % Li{sub 20}Sn{sub 80{sup -}}1-5 % SFG-Pu, 99-95 % Li{sub 20}Sn{sub 80{sup -}}1-5 % SFG-PuF{sub 4}, 99-95 % Li{sub 20}Sn{sub 80{sup -}}1-5 % SFG-PuO{sub 2}. In this study, the effect on conversion of each isotope ({sup 238-242}Pu) in spent fuel grade plutonium by (n,γ) reactions was investigated in liquid first wall, blanket and shield zones of the designed hybrid reactor system. Beryllium (Be) is the neutron multiplier by (n,2n) reactions. The Be zone used was 3 cm thick. 9Cr2WVT, a ferritic steel, is used as structural material. Three-dimensional nucleonic calculations were performed by using the most recent versions of the MCNPX-2.7.0 Monte Carlo code and the nuclear data library ENDF/B-VII.0.

Differential cross section measurement for the 6Li(n,t)4He Reaction

International Nuclear Information System (INIS)

Zhang Guohui; Tang Guoyou; Chen Jinxiang; Shi Zhaomin

2002-01-01

The differential cross sections and integrated cross sections of the 6 Li(n,t) 4 He reaction were measured at 1.85 and 2.67 MeV by using a gridded ionization chamber. Neutrons were produced through the T(p, n) 3 He reaction. The absolute neutron flux was determined through the 238 U(n, f) reaction. Present results are compared with existing data

Determination of '14 MeV' cross sections for (n,p)-, (n,α)-, (n,2n)-, and (n,np + pn + d)-reactions on the elements Sc, Ni, Ge, Pd, Cd, Sm, Dy, Gd, and Yb in consideration of the 'effective' n-energy spectra

International Nuclear Information System (INIS)

Weigel, H.; Michel, R.; Herr, W.

1975-01-01

A total of 24 cross sections was determined for (n,p)-, (n,α)-, (n,2n)-, and (n,np + pn + d)-reactions of fast (so called '14 MeV') neutrons on the elements Sc, Ni, Ge, Pd, Cd, Sm, Dy, Gd, and Yb. 58 Ni(n,p) 58 Co served as monitor reaction. It is a special feature of this work that calculated neutron energy spectra for the '14 MeV' n-tube (Type Philips 18602) were considered, thus enabling us to supply each individual sigma-value with the respective n-energy distribution. On the basis of an extensive literature search (up to the beginning of 1973) the sigma-data were compared with experimental results of other authors and with those deduced from the statistical model. For some nuclides (e.g. 58 Ni, 154 Gd, 168 Yb, 176 Yb) it was possible to show the limits of applicability of the latter model. Summarizing, 12 cross sections and 3 isomeric ratios, nearly all of which belong to reaction products with rather long half-lifes, were determined for the first time. (orig.) [de

N{sub 2}O + CO reaction over Si- and Se-doped graphenes: An ab initio DFT study

Energy Technology Data Exchange (ETDEWEB)

Gholizadeh, Reza [Laboratory of Chemical Engineering Thermodynamics, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China); Yu, Yang-Xin, E-mail: yangxyu@mail.tsinghua.edu.cn [Laboratory of Chemical Engineering Thermodynamics, Department of Chemical Engineering, Tsinghua University, Beijing 100084 (China); State Key Laboratory of Chemical Engineering, Tsinghua University, Beijing 100084 (China)

2015-12-01

Graphical abstract: Si-doped graphene can be one of efficient green catalysts for conversion of the airborne pollutants. - Highlights: • N{sub 2}O can be efficiently reduced by CO over Si-doped graphenes. • Enough charge transferred from Si to N{sub 2}O makes the N{sub 2}–O bond break easily. • Si-doped graphene is efficient green catalysts for conversion of the airborne pollutants. • vdW interaction and ZPE energy significantly influence the predictions of activation energies. - Abstract: Catalytic conversion of non-CO{sub 2} green house gases and other harmful gases is a promising way to protect the atmospheric environment. Non-metal atom-doped graphene is attractive for use as a catalyst in the conversion due to its unique electronic properties, relatively low price and leaving no burden to the environment. To make an attempt on the development of green catalysts for the conversion, ab initio density functional theory is used to investigate the mechanisms of N{sub 2}O reduction by CO on Si- and Se-doped graphenes. We have calculated the geometries and adsorption energies of reaction species (N{sub 2}O, CO, N{sub 2} and CO{sub 2}) as well as energy profiles along the reaction pathways. The activation energies of N{sub 2}O decomposition and CO oxidation on both Si- and Se-doped graphenes have been obtained. Our calculated results indicate that the catalytic activity of Si-doped graphene is better than the Fe{sup +} in gas phase and comparable to the single Fe atom embedded on graphene. In the calculations, we found that van der Waals interactions and zero-point energy are two non-negligible factors for the predictions of the activation energies. Further discussion shows that Si-doped graphene can be one of efficient green catalysts for conversion of the airborne pollutants and Se-doped graphene can be a candidate for oxidizing CO by atomic oxygen.

A quantum-rovibrational-state-selected study of the proton-transfer reaction H2+(X2Σ: v+ = 1-3; N+ = 0-3) + Ne → NeH+ + H using the pulsed field ionization-photoion method: observation of the rotational effect near the reaction threshold.

Science.gov (United States)

Xiong, Bo; Chang, Yih-Chung; Ng, Cheuk-Yiu

2017-07-19

Using the sequential electric field pulsing scheme for vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) detection, we have successfully prepared H 2 + (X 2 Σ: v + = 1-3; N + = 0-5) ions in the form of an ion beam in single quantum-rovibrational-states with high purity, high intensity, and narrow laboratory kinetic energy spread (ΔE lab ≈ 0.05 eV). This VUV-PFI-PI ion source, when coupled with the double-quadrupole double-octupole ion-molecule reaction apparatus, has made possible a systematic examination of the vibrational- as well as rotational-state effects on the proton transfer reaction of H 2 + (X 2 Σ: v + ; N + ) + Ne. Here, we present the integral cross sections [σ(v + ; N + )'s] for the H 2 + (v + = 1-3; N + = 0-3) + Ne → NeH + + H reaction observed in the center-of-mass kinetic energy (E cm ) range of 0.05-2.00 eV. The σ(v + = 1, N + = 1) exhibits a distinct E cm onset, which is found to agree with the endothermicity of 0.27 eV for the proton transfer process after taking into account of experimental uncertainties. Strong v + -vibrational enhancements are observed for σ(v + = 1-3, N + ) in the E cm range of 0.05-2.00 eV. While rotational excitations appear to have little effect on σ(v + = 3, N + ), a careful search leads to the observation of moderate N + -rotational enhancements at v + = 2: σ(v + = 2; N + = 0) quantum dynamics predictions. We hope that these new experimental results would further motivate more rigorous theoretical calculations on the dynamics of this prototypical ion-molecule reaction.

Rate coefficient for the reaction N + NO

Science.gov (United States)

Fox, J. L.

1994-01-01

Evidence has been advanced that the rate coefficient for the reaction N + NO right arrow N2 + O has a small positive temperature dependence at the high temperatures (900 to 1500 K) that prevail in the terrestrial middle and upper thermosphere by Siskind and Rusch (1992), and at the low temperatures (100 to 200 K) of the Martian lower thermosphere by Fox (1993). Assuming that the rate coefficient recommended by the Jet Propulsion Laboratory evaluation (DeMore et al., 1992) is accurate at 300 K, we derive here the low temperature value of the activation energy for this reaction and thus the rate coefficient that best fits the Viking 1 measured NO densities. We find that the fit is acceptable for a rate coefficient of about 1.3 x 10(exp -10)(T/300)(exp 0.5)exp(-400/T) and better for a value of about 2.5 x 10(exp -10)(T/300)(exp 0.5)exp(-600/T)cu cm/s.

Novel synthetic route to molybdenum hydrido-thiocarbamoyl and hydrosulfido-carbyne complexes by reactions of trans-Mo(N{sub 2}){sub 2}(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} with N,N-dimethylthioformamide

Energy Technology Data Exchange (ETDEWEB)

Luo, X.L.; Kubas, G.J.; Burns, C.J.; Butcher, R.J. [Los Alamos National Lab., NM (United States)

1995-07-01

The reactions of bis(dinitrogen)molybdenum complexes trans-Mo(N{sub 2}){sub 2}(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} (R = Ph, Et) with N,N-dimethylthioformamide (HC(S)NMe{sub 2}) in refluxing benzene under argon give the molybdenum hydrido-thiocarbamoyl complexes MoH({eta}{sup 2}-C(S)NMe{sub 2})(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} (R = Ph (1a), Et (1b)). On heating at 125{degree}C in toluene solutions, compounds 1a and 1b rearrange to form the molybdenum hydrosulfido-aminocarbyne complexes trans-Mo(SH)-(=CNMe{sub 2})(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2} (R = Ph (2a), Et (2b)). A mechanism is proposed for this thermal rearrangement which involves migration of the hydride ligand from molybdenum to the sulfur atom of the thiocarbamoyl ligand to give the 16-electron Fischer carbene intermediate Mo-(=C(SH)NMe{sub 2})(R{sub 2}PC{sub 2}H{sub 4}PR{sub 2}){sub 2}, followed by migration of the hydrosulfido group from the carbene carbon to molybdenum. The molecular structures of compounds 1a and 2a have been determined by single-crystal X-ray diffraction studies. 30 refs., 4 figs., 4 tabs.

Surrogate Measurements of Actinide (n,2n) Cross Sections with NeutronSTARS

Energy Technology Data Exchange (ETDEWEB)

Casperson, R. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Burke, J. T. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hughes, R. O. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Akindele, O. A. [Univ. of California, Berkeley, CA (United States); Koglin, J. D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wang, B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Tamashiro, A. [Oregon State Univ., Corvallis, OR (United States)

2016-09-27

Directly measuring (n,2n) cross sections on short-lived actinides presents a number of experimental challenges. The surrogate reaction technique is an experimental method for measuring cross sections on short-­lived isotopes, and it provides a unique solution for measuring (n,2n) cross sections. This technique involves measuring a charged-­particle reaction cross section, where the reaction populates the same compound nucleus as the reaction of interest. To perform these surrogate (n,2n) cross section measurements, a silicon telescope array has been placed along a beam line at the Texas A&M University Cyclotron Institute, which is surrounded by a large tank of gadolinium-doped liquid scintillator, which acts as a neutron detector. The combination of the charge-particle and neutron-detector arrays is referred to as NeutronSTARS. In the analysis procedure for calculating the (n,2n) cross section, the neutron detection efficiency and time structure plays an important role. Due to the lack of availability of isotropic, mono-energetic neutron sources, modeling is an important component in establishing this efficiency and time structure. This report describes the NeutronSTARS array, which was designed and commissioned during this project. It also describes the surrogate reaction technique, specifically referencing a ²³⁵U(n,2n) commissioning measurement that was fielded during the past year. Advanced multiplicity analysis techniques have been developed for this work, which should allow for efficient analysis of ²⁴¹Pu(n,2n) and ²³⁹Pu(n,2n) cross section measurements

Ti{sub 2}Al(O,N) formation by solid-state reaction between substoichiometric TiN thin films and Al{sub 2}O{sub 3} (0001) substrates

Energy Technology Data Exchange (ETDEWEB)

Persson, P.O.A., E-mail: perpe@ifm.liu.se; Hoeglund, C.; Birch, J.; Hultman, L.

2011-02-01

Titanium nitride TiN{sub x} (0.1 {<=} x {<=} 1) thin films were deposited onto Al{sub 2}O{sub 3}(0001) substrates using reactive magnetron sputtering at substrate temperatures (T{sub s}) ranging from 800 to 1000 {sup o}C and N{sub 2} partial pressures (pN{sub 2}) between 13.3 and 133 mPa. It is found that Al and O from the substrates diffuse into the substoichiometric TiN{sub x} films during deposition. Solid-state reactions between the film and substrate result in the formation of Ti{sub 2}O and Ti{sub 3}Al domains at low N{sub 2} partial pressures, while for increasing pN{sub 2}, the Ti{sub 2}AlN MAX phase nucleates and grows together with TiN{sub x}. Depositions at increasingly stoichiometric conditions result in a decreasing incorporation of substrate species into the growing film. Eventually, a stoichiometric deposition gives a stable TiN(111) || Al{sub 2}O{sub 3}(0001) structure without the incorporation of substrate species. Growth at T{sub s} 1000 {sup o}C yields Ti{sub 2}AlN(0001), leading to a reduced incorporation of substrate species compared to films grown at 900 {sup o}C, which contain also Ti{sub 2}AlN(101-bar3) grains. Finally, the Ti{sub 2}AlN domains incorporate O, likely on the N site, such that a MAX phase oxynitride Ti{sub 2}Al(O,N) is formed. The results were obtained by a combination of structural methods, including X-ray diffraction and (scanning) transmission electron microscopy, together with spectroscopy methods, which comprise elastic recoil detection analysis, energy dispersive X-ray spectroscopy, and electron energy loss spectroscopy.

Implications of the (H2O)n + CO ↔ trans-HCOOH + (H2O)n-1 (n = 1, 2, and 3) reactions for primordial atmospheres of Venus and Earth

Science.gov (United States)

Vichietti, R. M.; Spada, R. F. K.; da Silva, A. B. F.; Machado, F. B. C.; Haiduke, R. L. A.

2018-04-01

The forward and backward (H2O)n + CO ↔ HCOOH + (H2O)n-1 (n = 1, 2, and 3) reactions were studied in order to furnish trustworthy thermochemical and kinetic data. Stationary point structures involved in these chemical processes were achieved at the B2PLYP/cc-pVTZ level so that the corresponding vibrational frequencies, zero-point energies, and thermal corrections were scaled to consider anharmonicity effects. A complete basis set extrapolation was also employed with the CCSD(T) method in order to improve electronic energy descriptions and providing therefore more accurate results for enthalpies, Gibbs energies, and rate constants. Forward and backward rate constants were encountered at the high-pressure limit between 200 and 4000 K. In turn, modified Arrhenius' equations were fitted from these rate constants (between 700 and 4000 K). Next, considering physical and chemical conditions that have supposedly prevailed on primitive atmospheres of Venus and Earth, our main results indicate that 85-88 per cent of all water forms on these atmospheres were monomers, whereas (H2O)2 and (H2O)3 complexes would represent 12-15 and ˜0 per cent, respectively. Besides, we estimate that Earth's and Venus' primitive atmospheres could have been composed by ˜0.001-0.003 per cent of HCOOH when their temperatures were around 1000-2000 K. Finally, the water loss process on Venus may have occurred by a mechanism that includes the formic acid as intermediate species.

Polarization transfer in (d-vector,n-vector) reactions

International Nuclear Information System (INIS)

Walter, R.L.; Tornow, W.

1986-01-01

The status of the measurements and the role of polarization transfer coefficients for (d/sup →/,n/sup →/) reactions is reviewed. Emphasis is given to reactions, involving light-nuclei systems. The importance of (d/sup →/,n/sup →/) reactions as sources of polarized neutrons is pointed out

Excited states of 117Sb populated in the reaction (α, 2nγ)

International Nuclear Information System (INIS)

Lobach, Y.N.; Trishin, V.V.

1995-01-01

The structure of 117 Sb levels populated in the reaction 115 In(α, 2nγ) at E α = 27.2 MeV is investigated. Data on γγ coincidences and the angular distributions of γ rays are used to construct the energy-level diagram and to determine the multipole orders of various transitions and the quantum numbers of levels. The positive-parity band based on the 9/2 + level is observed up to I = 23/2. A new band is revealed that is probably based on one of the isomer states. The levels of 117 Sb are interpreted in terms of the coupling of a proton to vibrations of the core or to three-quasiparticle excitations. Identical bands in the neighboring isotopes of Sb are discussed. 26 refs., 7 figs., 3 tabs

Effects of reaction-kinetic parameters on modeling reaction pathways in GaN MOVPE growth

Science.gov (United States)

Zhang, Hong; Zuo, Ran; Zhang, Guoyi

2017-11-01

In the modeling of the reaction-transport process in GaN MOVPE growth, the selections of kinetic parameters (activation energy Ea and pre-exponential factor A) for gas reactions are quite uncertain, which cause uncertainties in both gas reaction path and growth rate. In this study, numerical modeling of the reaction-transport process for GaN MOVPE growth in a vertical rotating disk reactor is conducted with varying kinetic parameters for main reaction paths. By comparisons of the molar concentrations of major Ga-containing species and the growth rates, the effects of kinetic parameters on gas reaction paths are determined. The results show that, depending on the values of the kinetic parameters, the gas reaction path may be dominated either by adduct/amide formation path, or by TMG pyrolysis path, or by both. Although the reaction path varies with different kinetic parameters, the predicted growth rates change only slightly because the total transport rate of Ga-containing species to the substrate changes slightly with reaction paths. This explains why previous authors using different chemical models predicted growth rates close to the experiment values. By varying the pre-exponential factor for the amide trimerization, it is found that the more trimers are formed, the lower the growth rates are than the experimental value, which indicates that trimers are poor growth precursors, because of thermal diffusion effect caused by high temperature gradient. The effective order for the contribution of major species to growth rate is found as: pyrolysis species > amides > trimers. The study also shows that radical reactions have little effect on gas reaction path because of the generation and depletion of H radicals in the chain reactions when NH2 is considered as the end species.

On the mechanisms of titanium particle reactions in O{sub 2}/N{sub 2} and O{sub 2}/Ar atmospheres

Energy Technology Data Exchange (ETDEWEB)

Andrzejak, Timothy A.; Shafirovich, Evgeny; Varma, Arvind [School of Chemical Engineering, Purdue University, West Lafayette, IN (United States)

2009-02-15

Combustion of titanium particles in air may potentially be used for the in situ synthesis of nanoscale TiO{sub 2} particles, which can photocatalytically degrade chemical and biological air pollutants. The knowledge of Ti particle reactions in O{sub 2}-containing atmospheres is required to develop this method. In the present work, large ({proportional_to}3 mm) single Ti particles were heated by a laser in O{sub 2}/N{sub 2} and O{sub 2}/Ar environments. High-speed digital video recording, thermocouple measurements and quenching at different stages of the process were used for diagnostics. Analysis of the obtained temperature-time curves and quenched particles does not show a significant influence of nitrogen on the oxidation of solid Ti. In all experiments, noticeable surface oxidation started at temperatures between {proportional_to}850 and {proportional_to}950 C, leading to a sharp temperature rise at {proportional_to}1400 C. During prolonged heating at the Ti melting point (1670 C), a liquid TiO{sub 2} bead formed and, after an induction period, ejected fragments. It was shown that this phenomenon may result from an excess of oxygen in the liquid bead. Fragment ejection in O{sub 2}/N{sub 2} atmospheres was more intense than in O{sub 2}/Ar, indicating that N{sub 2} accelerates the oxidation of liquid Ti. (Abstract Copyright [2009], Wiley Periodicals, Inc.)

Studies of (n,t) reactions on light nuclei

International Nuclear Information System (INIS)

Suhaimi, A.

1988-04-01

Cross Sections were measured with uncertainties of 13 to 21% for the reactions 9 Be(n,t)L 7 Li, 10 B(n,t)2α and 14 N(n,t) 12 C over various energy ranges. Irradiations were performed with thermal neutrons and neutrons produced via the reactions 2 H(d,n) 3 He and 9 Be(d,n) 10 B. The tritium produced and accumulated in the irradiated samples was separated by vacuum extraction and measured in the gas phase using anticoincidence β - counting. The residual tritium content was determined for the enriched 10 B and AlN samples. The characteristics of tritium diffusion in B 4 C were studied by high-temperature release experiments. The Li impurity in the AlN sample was determined via neutron activation analysis. The average 9 Be(n,t) 7 Li cross sections lie between 3 and 14 mb for break-up neutrons produced by 17.5 to 31.0 MeV deuterons on a thick Be target. A comparison of the measured data with the values deduced from differential data and neutron spectral distributions shows agreement within ± 21%. The 10 B(n,t)2α cross sections in the neutron energy range of 0.025 eV to 10.6 MeV lie between 12 and 215 mb (with the maximum at about 5.5 MeV). The 14 N(n,t) 12 C cross sections in the neutron energy range of 5.0 to 10.6 MeV lie between 11 and 30 mb. The excitation function shows a fluctuation which is attributed to the decay properties of the compound nucleus 15 N. Detailed Hauser-Feshbach calculations show that the statistical model cannot satisfactorily describe the (n,t) cross section on light nuclei. (orig.)

Evaluation of the 175Lu(n,2n)174Lu, 175Lu(n,2n/sup 174m/Lu, and 175Lu(n,3n)173Lu cross sections from threshold to 20 MeV

International Nuclear Information System (INIS)

Philis, C.; Young, P.G.; Arthur, E.D.

1978-04-01

An evaluation of the 175 Lu(n,2n) 174 Lu, 175 Lu(n,2n)/sup 174m/Lu, and 175 Lu(n,3n) 173 Lu reactions from threshold to 20 MeV is presented. Available experimental data were renormalized to a consistent set of standards and were used along with results from statistical-preequilibrium model calculations to produce recommended curves for each of these reactions

Measurements of the Fe-54 (n,p) Mn-54 Reaction Cross Section in the Neutron Energy Range 2.3-3.8 MeV

International Nuclear Information System (INIS)

Lauber, A.; Malmskog, S.

1964-10-01

We have measured the 54 Fe (n, p) 54 Mn reaction cross section using a surface barrier detector to record the number of protons released in the reaction. The neutron flux was determined by means of a hydrogenous radiator, detecting the scattered protons with the solid state detector, and calculating the number of impinging neutrons from the well known n-p scattering cross section. The 54 Fe (n, p) 54 Mn reaction cross section is found to increase from 25 mb at 2.3 MeV to 208 mb at 3.5 MeV

Oxidation reactivity channels for 2-(pyridin-2-yl)-N,N-diphenylacetamides

Energy Technology Data Exchange (ETDEWEB)

Pailloux, Sylvie; Binyamin, Iris; Deck, Lorraine M.; Rapko, Brian M.; Hay, Benjamin P.; Duesler, Eileen N.; Paine, Robert T.

2007-11-01

Synthetic routes to 2-(pyridin-2-yl)-N,N-diphenylacetamide and 2-(6-methylpyridin-2-yl)-N,N-diphenylacetamide are described along with results from the chemical oxidation of these compounds with peracetic acid, m-chloroperbenzoic acid, and OXONE. In each case, oxidations generate four products in varying amounts depending on the oxidant and reaction conditions. Each product has been characterized by spectroscopic methods and the molecular structures of several of the new compounds have been confirmed by X-ray crystallography.

Reaction of BH4- with [Mo2Cp2(mu-SMe)n] species to give tetrahydroborato, hydrido or dimetallaborane compounds: control of product by ancillary ligands.

Science.gov (United States)

Cabon, Nolwenn; Petillon, Francois Y; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W

2004-09-07

The reaction of mono- or dichloro-dimolybdenum(III) complexes [Mo2Cp2(mu-SMe)2(mu-Cl)(mu-Y)] (Cp=eta5-C5H5; 1, Y=SMe; 2, Y=PPh2; 3, Y=Cl) with NaBH4 at room temperature gave in high yields tetrahydroborato (8), hydrido (9) or metallaborane (12) complexes depending on the ancillary ligands. The correct formulation of derivatives and has been unambigously determined by X-ray diffraction methods. That of the hydrido compound 9 has been established in solution by NMR analysis and confirmed by an X-ray study of the mu-azavinylidene derivative [Mo2Cp2(mu-SMe)2(mu-PPh2)(mu-N=CHMe)] (10) obtained from the insertion of acetonitrile into the Mo-H bond of 9. Reaction of NaBH4 with nitrile derivatives, [Mo2Cp2(mu-SMe)4-n(CH3CN)2n]n+(5, n=1; 6 n=2), afforded the tetrahydroborato compound 8, together with a mu-azavinylidene species [Mo2Cp2(mu-SMe)3(mu-N=CHMe)](14), when n=1, and the metallaborane complex 12, together with a mixed borohydrato-azavinylidene derivative [Mo2Cp2(mu-SMe)2(mu-BH4)(mu-N=CHMe)] (13), when n=2. The molecular structures of these complexes have been confirmed by X-ray analysis. Preparations of some of the starting complexes (3 and 4) are also described, as are the molecular structures of the precursors [Mo2Cp2(mu-SMe)2(mu-X)(mu-Y)] (1, X/Y=Cl/SMe; 2, X/Y=Cl/PPh2; 4, X/Y=SMe/PPh2).

A theoretical investigation of the N2O + SO2 reaction on surfaces of P-doped C60 nanocage and Si-doped B30N30 nanocage

Directory of Open Access Journals (Sweden)

Meysam Najafi

Full Text Available The mechanism of N2O reduction via SO2 on surfaces of P-doped C60 and Si-doped B30N30 by density functional theory were investigated. The P and Si adsorption energies on surface of C60 and B30N30 were calculated to be −287.5 and −312.1 kcal/mol, respectively. The decomposition of C60-P-N2O and B30N30-Si-N2O and reduction of C60-P-O∗ and B30N30-Si-O∗ by SO2 molecule were investigated. The B30N30-Si-O∗ has lower activation energy and has more negative ΔGad rather than C60-P-O∗ and therefore the process of B30N30-Si-O∗ + SO2 → B30N30-Si + SO3 was spontaneous more than C60-P-O∗ + SO2 → C60-P + SO3 from thermodynamic view point. Results show that activation energies for B30N30-Si-O∗ + N2O → B30N30-Si-O2 + N2 and C60-P-O∗ + N2O → C60-P-O2 + N2 reactions were 33.23 and 35.82 kcal/mol, respectively. The results show that P-doped C60 and Si-doped B30N30 can be observed as a real catalysts for the reduction of N2O. Keywords: Atom doping, Catalyst, Nanocage, Adsorption, N2O reduction

Table of cross section (n,p), (n,α) and (n, 2n) reactions in steel components and other nuclear materials

International Nuclear Information System (INIS)

Lopez Jimenez, J.

1972-01-01

Reactions (n,p) and (n, α ) produce in the materials large amount of hydrogen and helium atoms. The presence, specially of helium, changes the physical properties of materials and particularly reduce the ductility of irradiated stainless steel cladding above 500 degree centigree. Cross sections of all isotopes which constitute the S.S. and other clad materials, have been completed. Experimental available data were obtained from BNL (1956, 64 and 68), and the rest, from J.C, ROY and J . J . HAWTON calculations in a fission neutron spectrum (1960). (Author)

Computational study for the circular redox reaction of N2O with CO catalyzed by fullerometallic cations C60Fe+ and C70Fe.

Science.gov (United States)

Anafcheh, Maryam; Naderi, Fereshteh; Khodadadi, Zahra; Ektefa, Fatemeh; Ghafouri, Reza; Zahedi, Mansour

2017-03-01

We applied density functional calculations to study the circular redox reaction mechanism of N 2 O with CO catalyzed by fullerometallic cations C 60 Fe + and C 70 Fe + . The on-top sites of six-membered rings (η 6 ) of fullerene cages are the most preferred binding sites for Fe + cation, and the hexagon to pentagon migration of Fe + is unlikely under ambient thermodynamic conditions. The initial ion/molecule reaction, N 2 O rearrangement and N 2 abstraction on the considered fullerometallic cations are easier than those on the bare Fe + cation in the gas phase. Generally, our results indicate that fullerometallic ions, C 60 Fe + and C 70 Fe + , are more favorable substrates for redox reaction of N 2 O with CO in comparison to the other previously studied carbon nanostructures such as graphene and nanotubes. Copyright © 2016 Elsevier Inc. All rights reserved.

Two-body interactions in the reaction 9Be(n,ααnn) at 14 MeV. 2. Cross-section measurements

International Nuclear Information System (INIS)

Giorni, A.

1966-11-01

We measure with a double time of flight spectrometer the momenta k 1 and k 2 of neutrons from the 9 Be(n,nn)αα reaction at E n = 14 MeV. After the analysis of corrections factors for the measurement of differential cross-sections, we appraise the importance of different interactions (nn, 8 Be(0+): 1,8 ± 0.4 mb/sr 2 , mn 8 Be(2+): 2 ± 0,4 mb/sr 2 , n 9 Be, n 8 Be, α-α) observed. Our results are compared with those In the literature. (author) [fr

Determination of '14 MeV' cross sections for (n,p), (n,. cap alpha. ), (n,2n), and (n,np + pn + d) reactions on the elements Sc, Ni, Ge, Pd, Cd, Sm, Dy, Gd, and Yb in consideration of the 'effective' n-energy spectra

Energy Technology Data Exchange (ETDEWEB)

Weigel, H; Michel, R; Herr, W [Koeln Univ. (F.R. Germany). Inst. fuer Kernchemie

1975-01-01

A total of 24 cross sections was determined for (n,p), (n,..cap alpha..), (n,2n), and (n,np + pn + d) reactions of fast (so called '14-MeV') neutrons on the elements Sc, Ni, Ge, Pd, Cd, Sm, Dy, Gd, and Yb. /sup 58/Ni(n,p)/sup 58/Co served as monitor reaction. It is a special feature of this work that calculated neutron energy spectra for the '14 MeV' n-tube (Type Philips 18602) were considered; each individual sigma value could thus be supplied with the respective n-energy distribution. On the basis of an extensive literature search (up to the beginning of 1973), the sigma data were compared with experimental results of other authors and with those deduced from the statistical model. For some nuclides (e.g. /sup 58/Ni, /sup 154/Gd, /sup 168/Yb, /sup 176/Yb) it was possible to show the limits of applicability of the latter model. Summarizing, 12 cross sections and 3 isomeric ratios, nearly all of which belong to reaction products with rather long half-lifes, were determined for the first time.

Near thermal charge transfer between Ar+2 and N2

International Nuclear Information System (INIS)

Holzscheiter, H.M.; Church, D.A.

1981-01-01

The near thermal charge transfer reaction of Ar +2 with N 2 has been studied at total pressures below 10 -7 Torr using a stored ion technique. Ar +2 ions produced by electron impact double ionization of Ar gas were selectively stored for times the order of seconds in a split-ring Penning-type ion trap. The decay with time of the initial ion sample number in a mixture of Ar and N 2 gases was fit to the sum of two exponentials, corresponding to different reaction rates for the 3 P and 1 D low-lying Ar +2 levels. The observed Ar +2 number decrease is attributed to the double-charge transfer process Ar +2 +N 2 →Ar+N 2 +2 →Ar+N + +N + in accord with recent flow-tube measurements. A rate constant for the metastable Ar +2 ( 1 D) level reaction with a value k( 1 D)=1.4 x 10 -9 cm 3 /sec is obtained, using the previously measured rate constant for the Ar +2 ( 3 P) state

Comparative study on catalytic behavior of polynuclear Mg-Mo-complex and FeMo-co-factor of nitrogenase in reactions with C2H2, N2 and CO

International Nuclear Information System (INIS)

Bardina, N.V.; Bazhenova, T.A.; Petrova, G.N.; Shilova, A.K.; Shilov, A.E.

2006-01-01

Catalytic reduction kinetics of C 2 H 2 in the presence of the Mg-Mo-cluster {[Mg 2 Mo 8 O 22 (MeO) 6 (MeOH) 4 ] 2- [Mg(MeOH) 6 ] 2+ }·6MeOH 1 is studied. Several interdependent coordinating centers are active in reference to substrates and inhibitors in the polynuclear Mg-Mo-complex, as in the reduced by europium amalgam (μ 6 -N)MoFe 7 S 9 ·homocitrate (FeMoco, 2). Comparison of regularities in reduction mechanism of C 2 H 2 , N 2 and CO with the participation of synthetic polynuclear complex 1 and natural cluster 2 is conducted. Regularities of the studied reactions in the systems involving natural catalytic cluster FeMoco and the synthetic Mg-Mo-complex modelling of its effect are noted to be similar. The main variations the systems show as regards to the reaction with molecular nitrogen [ru

Thermal decomposition of a molecular material {N(n-C4H94[FeIIFeIII(C2O43]}∞ leading to ferrite: A reaction kinetics study

Directory of Open Access Journals (Sweden)

Bhattacharjee Ashis

2013-01-01

Full Text Available A multi-step thermal decomposition of a molecular precursor, {N(n-C4H94[FeIIFeIII(C2O43}∞ has been studied using non-isothermal thermogravimetry (TG measurements in the temperature range 300 to ~800 K at multiple heating rates (5, 10 and 20 K min-1. The thermal decomposition of the oxalate-based complex proceeds stepwise through a series of intermediate reactions. Two different isoconversional methods, namely, improved iterative method and model-free method are employed to evaluate the kinetic parameters: activation energy and rate of reaction, and the most probable reaction mechanism of thermal decomposition is also determined. The different reaction pathways leading to different steps in the TG profile have also been explored which are supplemented by earlier experimental observations of the present authors.

Partial gamma-ray cross section measurements in 109Ag(n, x n y p gamma) reactions

Energy Technology Data Exchange (ETDEWEB)

Fotiadis, Nikolaos [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Devlin, Matthew James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Nelson, Ronald Owen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Carroll, James [US Army Research Laboratory, Adelphi, MD (United States)

2015-06-02

We report on absolute partial cross sections for production of discrete γ-rays using ¹⁰⁹Ag(n, xnypγ) reactions with x ≤ 7 and y ≤ 1 in a total of 12 reaction channels. The data were taken using the GEANIE spectrometer comprised of 20 high-purity Ge detectors with 20 BGO escape-suppression shields. The broad-spectrum pulsed neutron beam of the Los Alamos Neutron Science Center’s (LANSCE) WNR facility provided neutrons in the energy range from 0.2 to 300 MeV. The time-of- flight technique was used to determine the incident neutron energies. Partial γ-ray cross sections have been measured for a total of 109 transitions and for neutron energies 0.8 MeV< E_n<300 MeV. An estimate of the population of isomers in the (n, n'), (n, 2n) and (n, 3n) channels was made.

Reactions of N2O5 with Salty and Surfactant-Coated Glycerol: Interfacial Conversion of Br- to Br2 Mediated by Alkylammonium Cations.

Science.gov (United States)

Shaloski, Michael A; Gord, Joseph R; Staudt, Sean; Quinn, Sarah L; Bertram, Timothy H; Nathanson, Gilbert M

2017-05-18

Gas-liquid scattering and product-yield experiments are used to investigate reactions of N 2 O 5 with glycerol containing Br - and surfactant ions. N 2 O 5 oxidizes Br - to Br 2 for every solution tested: 2.7 M NaBr, 0.03 M tetrahexylammonium bromide (THABr), 0.03 M THABr + 0.5 M NaBr, 0.03 M THABr + 0.5 M NaCl, 0.03 M THABr + 0.01 M sodium dodecyl sulfate (SDS), and 0.01 M cetyltrimethylammonium bromide (CTABr). N 2 O 5 also reacts with glycerol itself to produce mono- and dinitroglycerin. Surface tension measurements indicate that 0.03 M THABr and 2.7 M NaBr have similar interfacial Br - concentrations, though their bulk Br - concentrations differ by 90-fold. We find that twice as much Br 2 is produced in the presence of THA + , implying that the conversion of Br - to Br 2 is initiated at the interface, perhaps mediated by the charged, hydrophobic pocket within the surface THA + cation. The addition of 0.5 M NaBr, 0.5 M NaCl, or 0.01 M SDS to 0.03 M THABr lowers the Br 2 production rate by 23%, 63%, and 67% of the THABr value, respectively. When CTA + is substituted for THA + , Br 2 production drops to 12% of the THABr value. The generation of Br 2 under such different conditions implies that trace amounts of surface-active alkylammonium ions can catalyze interfacial N 2 O 5 reactions, even when salts and other surfactants are present.

Study on 9Be(#betta#, n) reaction

International Nuclear Information System (INIS)

Fujishiro, M.; Tabata, T.; Satoh, Y.; Furuta, J.; Okamoto, K.

1982-01-01

In chapter 1 are described measurements of cross sections σ(E sub(#betta#)) of the 9 Be(#betta#, n) reaction with six kinds of radioisotopes. The results were σ(1674.7) = 8.8 +- 1.6, σ(1705.2) = 13.3 +- 2.4, σ(1724.9) = 11.0 +- 2.0, σ(1778.9) = 7.3 +- 1.3, σ(1836.0) = 4.7 +- 0.9, and σ(2167.6) = 1.8 +- 0.4 in unit of 10 - 28 cm 2 . The cross sections measured show a cusp-like peak near the threshold, and its width is narrower than that observed by Jakobson with bremsstrahlung X-rays. Comparison of the present results with theories indicates that mutual agreement is yet qualitative. In chapter 2 is described a measurement of the intensity I(2009.8) of the crossover E4 transition in 46 Ti by applying the 9 Be(#betta#, n) reaction. The observed intensity per decay of 46 Sc was I(2009.8) = (1.2 +- 0.7) x 10 - 7 . From the present result the reduced transition probability B(E4) of the crossover E4 transition between the 2009.8 keV, 4 + excited state and the 0 + ground state of 46 Ti was estimated as B(E4) = (5.2 +- 3.7) x 10 - 99 e 2 .cm 8 . Discussion was given of the presently measured intensity and of nuclear models. (author)

Controlled nitric oxide production via O(1D  + N2O reactions for use in oxidation flow reactor studies

Directory of Open Access Journals (Sweden)

A. Lambe

2017-06-01

Full Text Available Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O3 is photolyzed at 254 nm to produce O(1D radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O3 hinders the ability of oxidation flow reactors to simulate NOx-dependent secondary organic aerosol (SOA formation pathways. Simple addition of nitric oxide (NO results in fast conversion of NOx (NO + NO2 to nitric acid (HNO3, making it impossible to sustain NOx at levels that are sufficient to compete with hydroperoxy (HO2 radicals as a sink for organic peroxy (RO2 radicals. We developed a new method that is well suited to the characterization of NOx-dependent SOA formation pathways in oxidation flow reactors. NO and NO2 are produced via the reaction O(1D + N2O  →  2NO, followed by the reaction NO + O3  →  NO2 + O2. Laboratory measurements coupled with photochemical model simulations suggest that O(1D + N2O reactions can be used to systematically vary the relative branching ratio of RO2 + NO reactions relative to RO2 + HO2 and/or RO2 + RO2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS measurements with nitrate (NO3− reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NOx-influenced environments and in laboratory chamber experiments.

Measurements of the Fe-54 (n,p) Mn-54 Reaction Cross Section in the Neutron Energy Range 2.3-3.8 MeV

Energy Technology Data Exchange (ETDEWEB)

Lauber, A; Malmskog, S

1964-10-15

We have measured the {sup 54}Fe (n, p) {sup 54}Mn reaction cross section using a surface barrier detector to record the number of protons released in the reaction. The neutron flux was determined by means of a hydrogenous radiator, detecting the scattered protons with the solid state detector, and calculating the number of impinging neutrons from the well known n-p scattering cross section. The {sup 54}Fe (n, p) {sup 54}Mn reaction cross section is found to increase from 25 mb at 2.3 MeV to 208 mb at 3.5 MeV.

Determination of the cross section for (n,p) and (n,α) reactions on 165Ho at 13.5 and 14.8 MeV

International Nuclear Information System (INIS)

Luo, Junhua; An, Li; Jiang, Li; He, Long

2015-01-01

Activation cross-sections for the 165 Ho(n,p) 165 Dy and 165 Ho(n,α) 162 Tb reactions were measured by means of the activation method at 13.5 and 14.8 MeV, to resolve inconsistencies in existing data. A neutron beam produced via the 3 H(d,n) 4 He reaction was used. Statistical model calculations were performed using the nuclear-reaction codes EMPIRE-3.2 Malta and TALYS-1.6 with default parameters, at neutron energies varying from the reaction threshold to 20 MeV. Results are also discussed and compared with some corresponding values found in the literature. The calculational results on the 165 Ho(n,α) 162 Tb reaction agreed fairly well with experimental data, but there were large discrepancies in the results for the 165 Ho(n,p) 165 Dy reaction. - Highlights: • 27 Al(n,α) 24 Na was used as a monitor for neutron fleunce. • The cross sections for the 165 Ho(n,p) 165 Dy and 165 Ho(n,α) 162 Tb reactions were measured at 13.5 and 14.8 MeV neutron energies. • Nuclear reaction codes TALYS-1.6 and EMPIRE-3.2 Malta were used to model the reactions. • Inconsistency with previous data and with model calculations are noted

Temperature dependence of third order ion molecule reactions. The reaction H+3 + 2H2 = H+5 + H2

International Nuclear Information System (INIS)

Hiraoka, K.; Kebarle, P.

1975-01-01

The rate constants k 1 for Reaction (1): H + 3 +2H 2 = H + 5 +H 2 were measured in the temperature range 100--300 degreeK. The temperature dependence of k 1 has the form k 1 proportionalT - /subn/, where n=2.3. Pierce and Porter have reported a much stronger negative temperature dependence with n=4.6. The difference arises from a determination of k 1 at 300 degreeK obtained by Arifov and used by Porter. The present k 1 (300 degreeK) =9times10 -30 (cm 6 molecules -2 center-dotsec -1 ). This is more than an order of magnitude larger than the Arifov value. The temperature dependence of third body dependent association reactions like (1) is examined on the basis of the energy transfer theory and the recently proposed trimolecular complex transition state theory by Meot-Ner, Solomon, Field, and Gershinowitz. The temperature dependence of the rate constant for the reverse reaction (-1) is obtained from k 1 and the previously determined temperature dependence of the equilibria (1). k/sub -//sub 1/ gives a good straight line Arrhenius plot leading to k/sub -//sub 1/ =8.7times10 -6 exp(-8.4/RT) cm 3 molecules -1 center-dotsec -1 . The activation energy is in kcal/mole. The preexponential factor is much larger than the rate constant for Langevin collisions. This is typical for pyrolysis of ions involving second order activation

Comparison of analyzing power and polarization in the reaction 3H(p,n)3He. Pt. 2

International Nuclear Information System (INIS)

Tornow, W.; Byrd, R.C.; Lisowski, P.W.; Walter, R.L.; Donoghue, T.R.

1981-01-01

The polarization Psup(y) for the 3 H(p,n) 3 He reaction was measured for energies between 2 and 4 MeV. Special care was given to minimizing the effects of background and to interpreting the experimental spectra. The new values for Psup(y) are significantly higher than previous values, and comparison to the available data for the analyzing power Asub(y) for the same reaction now shows that in this energy range Psup(y) ad Asub(y) are equal within experimental uncertainties. This equality negates earlier conclusions that sizeable differences existed between these observables. In particular, our new results demonstrate that in this reaction the effects of charge symmetry breaking on differences between these observables must be small. (orig.)

Kinetics of the Br2-CH3CHO Photochemical Chain Reaction

Science.gov (United States)

Nicovich, J. M.; Shackelford, C. J.; Wine, P. H.

1997-01-01

Time-resolved resonance fluorescence spectroscopy was employed in conjunction with laser flash photolysis of Br2 to study the kinetics of the two elementary steps in the photochemical chain reaction nBr2 + nCH3CHO + hv yields nCH3CBrO + nHBr. In the temperature range 255-400 K, the rate coefficient for the reaction Br((sup 2)P(sub 3/2)) + CH3CHO yields CH3CO + HBr is given by the Arrhenius expression k(sub 6)(T) = (1.51 +/- 0.20) x 10(exp -11) exp(-(364 +/- 41)/T)cu cm/(molecule.s). At 298 K, the reaction CH3CO + Br2 yields CH3CBrO + Br proceeds at a near gas kinetic rate, k(sub 7)(298 K) = (1.08 +/- 0.38) x 10(exp -10)cu cm/(molecule.s).

Hot reactions of 13N in solid methane at 77 K

International Nuclear Information System (INIS)

Fiergolla, J.; Nebeling, B.; Roessler, K.

1987-09-01

The chemical reactions of recoil- 13 N were studied in solid methane at 77 K. 13 N was generated via the the nuclear reaction 12 C(d,n) 13 N. The radiation dose deliverd by the 8.5 MeV deuterons amounted to D * = 0.6 eV per target molecule. The products formed by high energy chemical processes (hot chemistry) were analyzed by radio-gaschromatography. 13 NH 3 with 52% and CH 3 13 NH 2 with 25% radiochemical yield were found to be the main products. HC 13 N was not formed, but CH 3 13 CN amounts to 4%. For the more complex products carbon chain prolongation is prefered over multiple methylation such as show the yields of 8% for C 2 H 5 13 NH 2 and 3% (CH 3 ) 2 13 NH. (CH 3 ) 3 N was not detected. The formation of 13 NH 3 is due to hydrogen abstraction, that of CH 3 13 NH 2 due to insertion of NH radical into the C-H bond of CH 4 . Another, however, less probable pathway could be the insertion of 13 N into methane. The methylamine radical may react with another methane molecule via hydrogen transfer to methylamine or attack to CH 4 to dimethylamine. The 13 N-products were formed with high radiochemical purity and can potentially be applied for the synthesis of 13 N-radiopharmaceuticals. The reactions studied bear also informations on chemical processes in space (e.g. solar wind interactions with comets or interplanetary dust). 13 N-high energy chemical products are, however, of a less exobiological significance then those formed by hot carbon atoms, e.g. in the 'mirror' system 11 C/NH 3 (s). (orig.) [de

Reaction π-p→X deg n, X deg → 2γ at momenta 15 and 40 GeV/c

International Nuclear Information System (INIS)

Apel, W.D.; Bertolucci, E; Donskov, S.V.

1974-01-01

The cross sections for reaction π - p→X deg n with X deg → 2γ decay have been measured at momenta 15 and 40 GeV/c. About 500 events have been detected. A hodoscope spectrometer with the computer on-line was used to detect photon pairs. t-dependence of differential cross section has been obtained similar to that of reaction π - p→eta deg n. From the ratio of differential cross section for X deg and eta deg production at t=0 an angle of the singlet-octet mixing of pseudoscalar mesons has been found to be equal to β=-19 deg

Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenyl-acetamides

Energy Technology Data Exchange (ETDEWEB)

Pailloux, Sylvie [University of New Mexico, Albuquerque; Binyamin, Iris [University of New Mexico, Albuquerque; Kim, Sung-jun [University of New Mexico, Albuquerque; Deck, Lorraine M. [University of New Mexico, Albuquerque; Rapko, Brian M. [Pacific Northwest National Laboratory (PNNL); Hay, Benjamin [ORNL; Duesler, Eileen N. [University of New Mexico, Albuquerque; Paine, Robert T. [University of New Mexico, Albuquerque

2007-11-01

Synthetic routes to 2-(pyridin-2-yl)-N,N-diphenylacetamide and 2-(6-methylpyridin-2-yl)-N,N-diphenyl-acetamide are described along with results from the chemical oxidation of these compounds with peracetic acid, m-chloroperbenzoic acid, and OXONE. In each case, oxidations generate four products in varying amounts depending on the oxidant and reaction conditions. Each product has been characterized by spectroscopic methods and the molecular structures of several of the new compounds have been confirmed by X-ray crystallography.

Cross-section measurement for the reaction 115In(n,n')/sup 115m/In

International Nuclear Information System (INIS)

Liskien, H.; Arnotte, F.; Widera, R.; Paulsen, A.

1978-01-01

The excitation function for the reaction 115 In(n,n')/sup 115m/In was measured by the activation technique from threshold up to 4.1 MeV in 0.1-MeV steps. The absolute normalization of this excitation junction was performed at 2.1 MeV and is based on n-p scattering. The total uncertainty of the results is typically +- 6% above 1 MeV. The results are in good agreement with recently published data. 2 figures, 3 tables

Visible-light-induced, Ir-catalyzed reactions of N-methyl-N-((trimethylsilylmethylaniline with cyclic α,β-unsaturated carbonyl compounds

Directory of Open Access Journals (Sweden)

Dominik Lenhart

2014-04-01

Full Text Available N-Methyl-N-((trimethylsilylmethylaniline was employed as reagent in visible-light-induced, iridium-catalyzed addition reactions to cyclic α,β-unsaturated carbonyl compounds. Typical reaction conditions included the use of one equivalent of the reaction substrate, 1.5 equivalents of the aniline and 2.5 mol % (in MeOH or 1.0 mol % (in CH2Cl2 [Ir(ppy2(dtbbpy]BF4 as the catalyst. Two major reaction products were obtained in combined yields of 30–67%. One product resulted from aminomethyl radical addition, the other product was a tricyclic compound, which is likely formed by attack of the intermediately formed α-carbonyl radical at the phenyl ring. For five-membered α,β-unsaturated lactone and lactam substrates, the latter products were the only products isolated. For the six-membered lactones and lactams and for cyclopentenone the simple addition products prevailed.

New determination of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reaction rates at astrophysical energies

Energy Technology Data Exchange (ETDEWEB)

Tumino, A.; Spartà, R.; Spitaleri, C.; Pizzone, R. G.; La Cognata, M.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Laboratori Nazionali del Sud-INFN, Catania (Italy); Mukhamedzhanov, A. M. [Cyclotron Institute Texas A and M University-College Station, Texas (United States); Typel, S. [GSI Helmholtzzentrum für Schwerionenforschung GmbH-Theorie Darmstadt (Germany); Tognelli, E.; Degl' Innocenti, S.; Prada Moroni, P. G. [Dipartimento di Fisica, Università di Pisa, and INFN-Sezione di Pisa, Pisa (Italy); Burjan, V.; Kroha, V.; Hons, Z.; Mrazek, J.; Piskor, S. [Nuclear Physics Institute of ASCR-Rez near Prague (Czech Republic); Lamia, L., E-mail: tumino@lns.infn.it [Dipartimento di Fisica e Astronomia, Università degli Studi di Catania, Catania (Italy)

2014-04-20

The cross sections of the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions have been measured via the Trojan Horse method applied to the quasi-free {sup 2}H({sup 3}He,p {sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n {sup 3}He){sup 1}H processes at 18 MeV off the proton in {sup 3}He. For the first time, the bare nucleus S(E) factors have been determined from 1.5 MeV, across the relevant region for standard Big Bang nucleosynthesis, down to the thermal energies of deuterium burning in the pre-main-sequence (PMS) phase of stellar evolution, as well as of future fusion reactors. Both the energy dependence and the absolute value of the S(E) factors deviate by more than 15% from the available direct data and existing fitting curves, with substantial variations in the electron screening by more than 50%. As a consequence, the reaction rates for astrophysics experience relevant changes, with a maximum increase of up to 20% at the temperatures of the PMS phase. From a recent primordial abundance sensitivity study, it turns out that the {sup 2}H(d,n){sup 3}He reaction is quite influential on {sup 7}Li, and the present change in the reaction rate leads to a decrease in its abundance by up to 10%. The present reaction rates have also been included in an updated version of the FRANEC evolutionary code to analyze their influence on the central deuterium abundance in PMS stars with different masses. The largest variation of about 10%-15% pertains to young stars (≤1 Myr) with masses ≥1 M {sub ☉}.

Chemical effects of nuclear transformations in mixed crystals. 7. Chemical effects of the 35Cl(n,γ)36Cl nuclear reaction in K2ReCl6-K2ReBr6 mixed crystals

International Nuclear Information System (INIS)

Mueller, H.; Diefallah, E.H.M.; Martin, S.

1981-01-01

The solid-state reactions occurring during the moderation of recoiling 36 Cl, produced by the (n,γ) reaction, have been studied in K 2 ReCl 6 -K 2 ReBr 6 mixed crystals. The main reaction products are Re 36 ClCl 5 2- , Re 36 ClBr 5 2- , and 36 Cl - , but the more intimately mixed species Re 36 ClCl/sub n/Br/sub 5-n/ 2- (n = 1, 2, 3, 4) are found in significant amounts. The production of the different recoil-labeled species can be explained by elementary impact models: 6% of the recoils do not leave their original lattice site (primary retetion); between 6% and 23%, dependent upon the mixed-crystal composition, appear as interstitials; 31 to 48% give rise to direct displacement reactions of one halide ligand; and 40% produce larger disruption by substitution of at least two halide ligands. The results have been compared with Roessler's 38 Cl recoil experiments

Novel Rearrangements in the Reactions Directed Toward Preparation of Spiro-N,N-ketals: Reactions of Naphthalene-1,8-diamine with Ninhydrin and Isatin

Directory of Open Access Journals (Sweden)

Keiji Kobayashi

2012-11-01

Full Text Available Spiro-N,N-ketal 5, consisting of a phthaloperine heterocyclic ring and a naphtha[1,8-ef][1,4]diazepine ring, was obtained along with spiro-N,N-ketal 2 via 2,2-condensation in the reaction of ninhydrin with naphthalene-1,8-diamine. Their molecular structures were elucidated by X-ray crystal structural analysis. Aside from these spiro compounds, the diazapleiadiene compound 3 formed by 1,2-condensation and the 1,4-isoquinolinedione compound 4 arising from ring expansion were isolated. When isatin was reacted with naphthalene-1,8-diamine, spiro-N,N-ketal 6 and the two 1H-perimidine-based compounds 7 and 8 were isolated. Compound 8 was revealed to undergo a fast dynamic prototropic tautomerization in solution. Plausible mechanisms of the formation of the products are proposed.

Remeasurement of p/suby/ for the 2H(d, n)3He reaction and its bearing on the reported f-wave admixture of the lowest 2- state in 4He

International Nuclear Information System (INIS)

Tornow, W.; Skubic, S.E.; Byrd, R.C.; Lisowski, P.W.; Walter, R.L.

1976-01-01

The polarization of neutrons from the reaction 2 H(d, n) 3 He has been measured for a deuteron energy E/subd/ = 2.44 MeV at emission angles of 45degree and 55degree (lab). The polarization values are discussed in relation both to previously reported discrepant data and to measured differences between p/suby/ and A/suby/ in the reaction 3 H(p, n) 3 He

Double N-arylation reaction of polyhalogenated 4,4’-bipyridines. Expedious synthesis of functionalized 2,7-diazacarbazoles

Directory of Open Access Journals (Sweden)

Mohamed Abboud

2012-02-01

Full Text Available Unusual 2,7-diazacarbazoles were prepared in one step from readily available tetra-halogenated 4,4’-bipyridines by using a double N-arylation reaction in the presence of the Pd–XPhos catalyst system. Moderate to good yields were obtained in this site-selective Buchwald–Hartwig double amination. The functionalization of these tricyclic derivatives was performed by using Pd-catalyzed cross-coupling reactions such as the Stille and Suzuki couplings. Two compounds were analyzed by X-ray diffraction and show π–π stacking involving the diazacarbazole moieties and the phenyl rings of functionalized groups.

Polarization transfer in (p,n) reactions at 495 MeV

International Nuclear Information System (INIS)

Taddeucci, T.N.

1991-01-01

Polarization transfer observables have been measured with the NTOF facility at LAMPF for (p,n) reactions at 495 MeV. Measurements of the longitudinal polarization transfer parameter D LL for transitions to discrete states at 0 degrees show convincing evidence for tensor interaction effects. Complete sets of polarization transfer observables have been measured for quasifree (p,n) reactions on 2 H, 12 C, 40 Ca at a scattering angle of 18 degrees. These measurements show no evidence for an enhancement in the isovector spin longitudinal response. 19 refs., 10 figs

Benchmark experiment for the cross section of the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions

Science.gov (United States)

Takács, S.; Ditrói, F.; Aikawa, M.; Haba, H.; Otuka, N.

2016-05-01

As nuclear medicine community has shown an increasing interest in accelerator produced 99mTc radionuclide, the possible alternative direct production routes for producing 99mTc were investigated intensively. One of these accelerator production routes is based on the 100Mo(p,2n)99mTc reaction. The cross section of this nuclear reaction was studied by several laboratories earlier but the available data-sets are not in good agreement. For large scale accelerator production of 99mTc based on the 100Mo(p,2n)99mTc reaction, a well-defined excitation function is required to optimise the production process effectively. One of our recent publications pointed out that most of the available experimental excitation functions for the 100Mo(p,2n)99mTc reaction have the same general shape while their amplitudes are different. To confirm the proper amplitude of the excitation function, results of three independent experiments were presented (Takács et al., 2015). In this work we present results of a thick target count rate measurement of the Eγ = 140.5 keV gamma-line from molybdenum irradiated by Ep = 17.9 MeV proton beam, as an integral benchmark experiment, to prove the cross section data reported for the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions in Takács et al. (2015).

N-Hydroxyimide Ugi Reaction toward α-Hydrazino Amides

NARCIS (Netherlands)

Chandgude, Ajay L; Dömling, Alexander

2017-01-01

The Ugi four-component reaction (U-4CR) with N-hydroxyimides as a novel carboxylic acid isostere has been reported. This reaction provides straightforward access to α-hydrazino amides. A broad range of aldehydes, amines, isocyanides and N-hydroxyimides were employed to give products in moderate to

Investigation of (n,γ) reactions in fissionable fluids in a hybrid reactor system

International Nuclear Information System (INIS)

Guenay, Mehtap

2014-01-01

In this study, the effect of (n,γ) reactions in spent fuel-grade (SFG)-PuO 2 , UO 2 , NpO 2 and UCO contents was investigated in a designed hybrid reactor system. In this system, the molten salt-heavy metal mixtures 93 - 85 % Li 20 Sn 80 + 5 % SFG-PuO 2 and 2 - 10 % UO 2 , 93 - 85 % Li 20 Sn 80 + 5 % SFG-PuO 2 and 2 - 10 % NpO 2 , 93 - 85 % Li 20 Sn 80 + 5 % SFG-PuO 2 and 2 - 10 % UCO were used as fluids. Beryllium (Be) is used as neutron multiplier by (n,2n) reactions. Thence, a Be zone with a width of 3 cm was used in order to contribute on fissile fuel breeding between the liquid first wall and blanket. (n,γ) reactions were calculated in the liquid first wall, blanket and shield zones, which SFG-PuO 2 , UO 2 , NpO 2 and UCO contents. 9Cr2WVTa ferritic steel with the width of 4 cm was used as the structural material. Three-dimensional nucleonic calculations were performed using the most recent version MCNPX-2.7.0 the Monte Carlo code and nuclear data library ENDF/B-VII.0. (orig.)

Assessment of nitric oxide (NO) redox reactions contribution to nitrous oxide (N2 O) formation during nitrification using a multispecies metabolic network model.

Science.gov (United States)

Perez-Garcia, Octavio; Chandran, Kartik; Villas-Boas, Silas G; Singhal, Naresh

2016-05-01

Over the coming decades nitrous oxide (N2O) is expected to become a dominant greenhouse gas and atmospheric ozone depleting substance. In wastewater treatment systems, N2O is majorly produced by nitrifying microbes through biochemical reduction of nitrite (NO2(-)) and nitric oxide (NO). However it is unknown if the amount of N2O formed is affected by alternative NO redox reactions catalyzed by oxidative nitrite oxidoreductase (NirK), cytochromes (i.e., P460 [CytP460] and 554 [Cyt554 ]) and flavohemoglobins (Hmp) in ammonia- and nitrite-oxidizing bacteria (AOB and NOB, respectively). In this study, a mathematical model is developed to assess how N2O formation is affected by such alternative nitrogen redox transformations. The developed multispecies metabolic network model captures the nitrogen respiratory pathways inferred from genomes of eight AOB and NOB species. The performance of model variants, obtained as different combinations of active NO redox reactions, was assessed against nine experimental datasets for nitrifying cultures producing N2O at different concentration of electron donor and acceptor. Model predicted metabolic fluxes show that only variants that included NO oxidation to NO2(-) by CytP460 and Hmp in AOB gave statistically similar estimates to observed production rates of N2O, NO, NO2(-) and nitrate (NO3(-)), together with fractions of AOB and NOB species in biomass. Simulations showed that NO oxidation to NO2(-) decreased N2O formation by 60% without changing culture's NO2(-) production rate. Model variants including NO reduction to N2O by Cyt554 and cNor in NOB did not improve the accuracy of experimental datasets estimates, suggesting null N2O production by NOB during nitrification. Finally, the analysis shows that in nitrifying cultures transitioning from dissolved oxygen levels above 3.8 ± 0.38 to <1.5 ± 0.8 mg/L, NOB cells can oxidize the NO produced by AOB through reactions catalyzed by oxidative NirK. © 2015 Wiley Periodicals, Inc.

[μ-N,N′-Bis(2-aminoethylethane-1,2-diamine-κ4N1,N1′:N2,N2′]bis{[N,N′-bis(2-aminoethylethane-1,2-diamine-κ4N,N′,N′′,N′′′]cadmium} tetrakis(perchlorate

Directory of Open Access Journals (Sweden)

Hamid Goudarziafshar

2012-09-01

Full Text Available The centrosymmetric dinuclear cadmium title complex, [Cd2(C6H18N43](ClO44, was obtained by the reaction of N,N′-bis(2-aminoethylethane-1,2-diamine (trien with Cd(NO32·4H2O and sodium perchlorate in methanol. The CdII cation is coordinated by four N atoms of a non-bridging trien ligand and by two N atoms of a bridging trien ligand in a slightly distorted octahedral coordination geometry. The bridging ligand shares another two N atoms with a neighboring symmetry-equivalent CdII cation. The structure displays C—H...O and N—H...O hydrogen bonding. The perchlorate anion is disordered over two sets of sites in a 0.854 (7: 0.146 (7 ratio.

(p,n) reaction at intermediate energy

International Nuclear Information System (INIS)

Goodman, C.D.

1979-01-01

The use of the (p,n) reaction in exploring effective interactions is reviewed. Some recent data on self-conjugate nuclei taken at the Indiana University Cyclotron Facility (IUCF) are presented, and the differences between low- and high-energy data are emphasized. Experimental problems and techniques used are briefly described. It is concluded that forward-angle (p,n) spectra at energies greater than 100 MeV are dominated by Gamow-Teller (GT) transitions, while Fermi transitions (IAS transitions) dominate near 45 MeV. Prominent GT transitions are expected from a pion-exchange interaction, and it is expected that OPEP is the dominant component of the interaction in the energy range of 100 to 200 MeV. 27 figures, 2 tables

Characterization of catalytic supports based in mixed oxides for control reactions of NO and N{sub 2}O; Caracterizacion de soportes cataliticos basados en oxidos mixtos para reacciones de control de NO y N{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Garcia C, M.A.; Perez H, R.; Gomez C, A.; Diaz, G. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, 11801 Mexico D.F. (Mexico)

1999-07-01

The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were prepared by the Precipitation and Coprecipitation techniques. The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were characterized by several techniques to determine: texture (Bet), crystallinity (XRD), chemical composition (Sem)(Ftir) and it was evaluated their total acidity by reaction with 2-propanol. The investigation will be continued with the cobalt addition and this will be evaluated for its catalytic activity in control reactions of N O and N{sub 2}O. (Author)

A study of the structure of 162Dy through the (n,γ) and (n,e-) reactions

International Nuclear Information System (INIS)

Warner, D.D.; Shi, Z.R.; Gelletly, W.; Borner, H.G.; Hoyler, F.; Schreckenbach, K.; van Isacker, P.

1987-01-01

The level structure below 2 MeV in 162 Dy has been investigated using the 161 Dy(n,γ) 162 Dy and 161 Dy(n,e - ) 162 Dy reactions. The results for the positive parity excitations are discussed within the framework of an Interacting Boson Approximation (IBA-2) calculation. 7 refs., 1 fig., 1 tab

Cross sections for the 14N(n,p0), (n,α0), and (n,α1) reactions from 0.5 to 15 MeV

International Nuclear Information System (INIS)

Morgan, G.L.

1978-09-01

Cross sections were measured for the 14 N(n,p 0 ) reaction from 0.5 to 7.0 MeV and for the (n,α 0 ) and (n,α 1 ) reactions from 1 to 15 MeV and 4 to 15 MeV, respectively. The data were obtained using a gaseous scintillator containing N 2 and Xe mixtures. A linac was used as a pulsed, white neutron source with a 29-m fight path. The results of the measurement are compared to the current evaluated file for nitrogen; agreement is good for neutron energies below 8 MeV, but the measurement is substantially higher than the evaluation for neutron energies near 10 MeV

Activation analysis of thallium by /sup 203/Tl(n,2n)/sup 202/Tl reaction in nuclear reactors

Energy Technology Data Exchange (ETDEWEB)

Cohen, I M; Resnizky, S M; Baro, G B [Comision Nacional de Energia Atomica, Buenos Aires (Argentina). Gerencia de Radioisotopos y Radiaciones

1982-01-01

Two techniques are described for neutron activation analysis of thallium in biological and geological materials, based on /sup 203/Tl(n,2n)/sup 202/Tl reaction in nuclear reactors. Co-precipitation with bismuth sulphide is used as a pre-concentration method of thallium in urine samples, and post-irradiation chemical separation is also performed. The detection limit is 0.5 ..mu..g/l, for 100 ml urine samples. For thallium determination in blendes a radiochemical separation is carried out after the irradiation. An extension of this technique is presented for glass and silicate rocks. Results for seven blende samples from different places of Argentina are shown. Analysis of two reference materials, the 614 glass from the National Bureau of Standards and the granodiorite GSP-1 from the U.S. Geological Survey were also performed. The results are in very good agreement with the certified or estimated values.

Forward absolute cross-section of the reaction 2H(d,n)3He for Esub(d) = (3/6)MeV

International Nuclear Information System (INIS)

Pavan, P.; Toniolo, D.; Zago, G.; Zannoni, R.; Galeazzi, G.

1981-01-01

The zero-degree differential cross-section of the reaction 2 H(d,n) 3 He was measured, by means of a recoil-proton neutron counter telescope, with an accuracy of 2%, in the incident-deuteron energy interval from 3 to 6 MeV. (author)

Kinetics and mechanistic study of n-alkane hydroisomerization reaction on Pt-doped γ-alumina catalyst

Directory of Open Access Journals (Sweden)

Abhishek Dhar

2017-12-01

Full Text Available The catalysts γ-alumina (GA, the reference catalyst and Pt doped γ-alumina (PGA-s were synthesized using a simple sol-gel technique, in which at first preparation of porous base (GA, then impregnation of platinum salt over the base and finally reduction of platinum in the surface of the support were done. These catalysts prepared in different mole ratios of Pt:Al as 2:1, 1:1 and 1:2 are named as PGA-1, PGA-2 and PGA-3 respectively. The isomerization of n-alkanes (n-hexane, n-heptane and n-octane were investigated over the synthesized catalysts. The 2-methyl pentane (2-MP, 2,2-dimethyl pentane (2,2-DMP and 2,3-dimethyl hexane (2,3-DMH are the major products of respective isomerization of n-hexane, n-heptane and n-octane, besides a small amount of other branched isomers are also produced. The product distribution is comparable to that reported for Pt based other catalysts. The optimal mole ratios of Pt:Al is 1:1 (PGA-2 gives quite good catalytic activity for isomerization of n-alkane. Even through in reusability study, PGA-2 gives better performance than others. We have mainly focused on kinetic study, reaction mechanism behind isomerization and calculated the order of reactions and activation energies of the isomerization reactions in the present work. Keywords: Isomerization, n-alkanes, Catalyst, Reaction mechanism, Kinetics study, Activation energy

Reactions of N2(A3SIGMA/sub u/+) and candidates for short wavelength lasers, March 1, 1984-February 28, 1985

International Nuclear Information System (INIS)

Setser, D.W.

1987-01-01

There are several potential schemes for efficiently generating high concentrations of the first electronically excited state of nitrogen, N 2 (A 3 Σ/sub u/ + , 6.2 eV) by either chemical or electrical pumping. The goal of this proposal is to study ways of utilizing the energy of the N 2 (A) molecules for developing efficient, short wavelength gas lasers. Such lasers are of potential interest for laser fusion. The authors report both excitation-transfer and dissociative excitation-transfer reactions of N 2 (A) that yield electronically-excited diatomic molecules as products. 25 refs

Reactions of N,3-diarylpropiolamides with arenes under superelectrophilic activation: synthesis of 4,4-diaryl-3,4-dihydroquinolin-2(1H-ones and their derivatives

Directory of Open Access Journals (Sweden)

Larisa Yu. Gurskaya

2016-05-01

Full Text Available The reaction of 3-aryl-N-(arylpropiolamides with arenes in TfOH at room temperature for 0.5 h led to 4,4-diaryl-3,4-dihydroquinolin-2-(1H-ones in yields of 44–98%. The obtained dihydroquinolinones were further transformed into the corresponding N-acyl or N-formyl derivatives. For the latter, the superelectrophilic activation of the N-formyl group by TfOH in the reaction with benzene resulted in the formation of N-(diphenylmethyl-substituted dihydroquinolinones.

Oxidative Addition Reactions of I2 with [HIr4(CO10-n(PPh3 n(m-PPh2] (n = 1 and 2 and Crystal and Molecular Structure of [HIr4(m-I2(CO7 (PPh3(m-PPh2

Directory of Open Access Journals (Sweden)

Braga Dario

2002-01-01

Full Text Available The reactions of the cluster compounds [HIr4(CO10-n(PPh3 n(mu-PPh2] [n = 0, (1; 1, (2 and 2, (3] with I2 have been investigated. Compound 1 does not react, however, the presence of PPh3 in place of CO ligand(s activates the cluster. Both compounds 2 and 3 react with I2 under mild conditions to give [HIr4(mu-I2(CO7(PPh3(mu-PPh 2] (4, as the result of oxidative addition of I2 and dissociation of two CO ligands, or one CO and one PPh3 ligands, respectively. The molecular structure of 4, determined by an X-ray diffraction study, exhibits a butterfly arrangement of iridium atoms with the wings spanned by a mu-PPh2 ligand, the hinge bridged by a mu-H ligand, two hinge to wing tip edges bridged by iodine atoms and all metal atoms bearing two CO ligands, with the exception of one of the hinge atoms that contains a CO and a PPh3 ligands. This cluster exhibits the shortest average Irfraction three-quartersIr bond length [2.698(2 Å] observed so far for a derivative of 1 and this is in accord with the relatively high average oxidation state of its metal atoms (+1 for a carbonyl cluster compound.

Isospin non-conservation in 14N(d,d')14N reaction

International Nuclear Information System (INIS)

Aoki, Y.; Sanada, J.; Yagi, K.; Kunori, S.; Higashi, Y.

1978-01-01

The deuteron inelastic scattering experiments on 14 N are made at E sub(d) = 10.03, 11.65, 14.82 and 17.88 MeV, laying an emphasis on the isospin-forbidden excitation of the 2.31 MeV (0 + , T = 1) state. In order to clarify the reaction mechanism, we have performed analyses assuming both the direct reaction mechanism and the compound nucleus formation. For the above isospin-forbidden transition, the calculation in the second-order DWBA which assumes the isospin mixing in the intermediate channels, reproduces fairly well the strong energy dependence of the angular distribution and the cross section. For the isospin-allowed transition the simple DWBA calculation gives reasonable agreement with the experiment. The present calculation shows that the observed isospin violation is well accounted for by the direct multi-step reaction mechanism assuming the isospin mixing in the intermediate channels. (author)

Asymmetric Baylis-Hillman Reaction between Chiral Activated Alkenes and Aromatic Aldehydes in Me3N/H2O/Solvent Medium

Institute of Scientific and Technical Information of China (English)

Ke HE; Zheng Hong ZHOU; Hong Ying TANG; Guo Feng ZHAO; Chu Chi TANG

2005-01-01

Chiral activated alkene, L-menthyl acrylate and (+)-N-α-phenylethyl acrylamide,induced asymmetric Baylis-Hillman reaction of aromatic aldehydes was realized at 25℃ for 7 days in Me3N/H2O/solvent homogeneous medium. The corresponding Baylis-Hillman adducts were obtained in good chemical yield with moderate to excellent diastereoselectivity (up to 99% de).

The rate constant of the reaction NCN + H2 and its role in NCN and NO modeling in low pressure CH4/O2/N2-flames.

Science.gov (United States)

Faßheber, Nancy; Lamoureux, Nathalie; Friedrichs, Gernot

2015-06-28

Bimolecular reactions of the NCN radical play a key role in modeling prompt-NO formation in hydrocarbon flames. The rate constant of the so-far neglected reaction NCN + H2 has been experimentally determined behind shock waves under pseudo-first order conditions with H2 as the excess component. NCN3 thermal decomposition has been used as a quantitative high temperature source of NCN radicals, which have been sensitively detected by difference UV laser absorption spectroscopy at [small nu, Greek, tilde] = 30383.11 cm(-1). The experiments were performed at two different total densities of ρ≈ 4.1 × 10(-6) mol cm(-3) and ρ≈ 7.4 × 10(-6) mol cm(-3) (corresponding to pressures between p = 324 mbar and p = 1665 mbar) and revealed a pressure independent reaction. In the temperature range 1057 K rate constant can be represented by the Arrhenius expression k/(cm(3) mol(-1) s(-1)) = 4.1 × 10(13) exp(-101 kJ mol(-1)/RT) (Δlog k = ±0.11). The pressure independent reaction as well as the measured activation energy is consistent with a dominating H abstracting reaction channel yielding the products HNCN + H. The reaction NCN + H2 has been implemented together with a set of reactions for subsequent HNCN and HNC chemistry into the detailed GDFkin3.0_NCN mechanism for NOx flame modeling. Two fuel-rich low-pressure CH4/O2/N2-flames served as examples to quantify the impact of the additional chemical pathways. Although the overall NCN consumption by H2 remains small, significant differences have been observed for NO yields with the updated mechanism. A detailed flux analysis revealed that HNC, mainly arising from HCN/HNC isomerization, plays a decisive role and enhances NO formation through a new HNC → HNCO → NH2→ NH → NO pathway.

Diels-Alder Synthesis of endo-cis-N-phenylbicyclo[2.2.2]oct-5-en-2,3-dicarboximide

Science.gov (United States)

Baar, Marsha R.; Wustholz, Kristin

2005-01-01

A study investigated the Diels-Alder synthesis of endo-cis-N-phenylbicyclo [2.2.2]oct-5-en-2,3-dicarboximide. The amount of time taken by a reaction between the 1,3-cyclohexadiene and N-phenylmaleimide at room temperature and also whether the desired cycloadduct would precipitate directly from the reaction mixture was examined.

(n,α reactions cross section research at IPPE

Directory of Open Access Journals (Sweden)

Giorginis G.

2012-02-01

Full Text Available An experimental set-up based on an ionization chamber with a Frisch grid and wave form digitizer was used for (n,α cross section measurements. Use of digital signal processing allowed us to select a gaseous cell inside the sensitive area of the ionization chamber and determine the target atoms in it with high accuracy. This kind of approach provided us with a powerful method to suppress background arising from the detector structure and parasitic reactions on the working gas components. This method is especially interesting to study neutron reactions with elements for which solid target preparation is difficult (noble gases for example. In the present experiments we used a set of working gases which contained admixtures of nitrogen, oxygen, neon, argon and boron. Fission of 238U was used as neutron flux monitor. The cross section of the (n,α reaction for 16O, 14N, 20Ne, 36Ar, 40Ar and the yield ratio α0/α1 of 10B(n,α0 to 10B(n,α1 reactions was measured for neutron energies between 1.5 and 7 MeV. Additionally a measurement of the 50Cr(n,α cross section using a solid chromium target is also reported.

The (n,p) reaction as a probe of nuclear structure

International Nuclear Information System (INIS)

Jackson, K.P.; Celler, A.

1988-08-01

An account is given of some results of studies of the (n,p) reaction on nuclear targets at TRIUMF. The (n,p) reaction, inducing spin flip transitions in isospin space, appears to exhibit a unique sensitivity to certain aspects of nuclear structure. The TRIUMF facility is the first to exploit the (n,p) reaction as a detailed probe of nuclear structure at energies above 65 MeV. In the (n,p) reaction Fermi transitions are absent, but there is a dramatic impact on Gamow-Teller and other collective transactions. Some nuclear transition matrix elements can be estimated on the basis of (n,p) measurements. Experiments have been carried out at TRIUMF on Li 6 , Fe 5 4, and Zr 9 0 targets. The calibration of the (n,p) reaction as a probe of the Gamow-Teller strength B + GT has been achieved for three targets. (L.L.) (45 refs., 10 figs.)

Differential cross section measurement for the {sup 6}Li(n,t){sup 4}He Reaction

Energy Technology Data Exchange (ETDEWEB)

Guohui, Zhang; Guoyou, Tang; Jinxiang, Chen; Zhaomin, Shi [Beijing Univ., Beijing (China). Inst. of Heavy Ion Physics and MOE Key Laboratory of Heavy Ion Physics; Zemin, Chen [Tsinghua Univ., Beijing (China). Dept. of Physics; Gledenov, Yu M; Sedysheva, M; Khuukhenkhuu, G [Joint Institute for Nuclear Research, Frank Laboratory of Neutron Physics, Dubna (Russian Federation)

2002-06-01

The differential cross sections and integrated cross sections of the {sup 6}Li(n,t){sup 4}He reaction were measured at 1.85 and 2.67 MeV by using a gridded ionization chamber. Neutrons were produced through the T(p, n){sup 3}He reaction. The absolute neutron flux was determined through the {sup 238}U(n, f) reaction. Present results are compared with existing data.

{sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions at sub-coulomb energies

Energy Technology Data Exchange (ETDEWEB)

Tumino, A.; Spitaleri, C.; Mukhamedzhanov, A. M.; Typel, S.; Sparta, R.; Aliotta, M.; Kroha, V.; Hons, Z.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Mrazek, J.; Pizzone, R. G.; Rapisarda, G. G.; Romano, S.; Sergi, M. L. [Universita degli Studi di Enna Kore, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Cyclotron Institute Texas A and M University - College Station, Texas (United States); Excellence Cluster Universe - Technische Universitaet Muenchen, Garching, Germany and GSI Helmholtzzentrum fuer Schwerionenforschung GmbH - Theorie Darmstadt (Germany); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); School of Physics and Astronomy - University of Edinburgh, SUPA (United Kingdom); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy); Nuclear Physics Institute of ASCR - Rez near Prague (Czech Republic); Dipartimento di Fisica e Astronomia, Universita di Catania, and Laboratori Nazionali del Sud - INFN, via S. Sofia 62, 95123 Catania (Italy)

2012-11-20

The {sup 2}H({sup 3}He,p{sup 3}H){sup 1}H and {sup 2}H({sup 3}He,n{sup 3}He){sup 1}H processes have been measured in quasi free kinematics to investigate for the first time the {sup 2}H(d,p){sup 3}H and {sup 2}H(d,n){sup 3}He reactions by means of the Trojan Horse Method. The {sup 3}He+d experiment was performed at 18 MeV, corresponding the a d-d energy range from 1.5 MeV down to 2 keV. This range overlaps with the relevant region for Standard Big Bang Nucleosynthesis as well as with the thermal energies of future fusion reactors and deuterium burning in the Pre Main Sequence phase of stellar evolution. This is the first pioneering experiment in quasi free regime where the charged spectator is detected. Both the energy dependence and the absolute value of the bare nucleus S(E) factors have been extracted for the first time. They deviate by more than 15% from available direct data with new S(0) values of 57.4{+-}1.8 MeVb for {sup 3}H+p and 60.1{+-}1.9 MeVb for {sup 3}He+n. None of the existing fitting curves is able to provide the correct slope of the new data in the full range, thus calling for a revision of the theoretical description. This has consequences in the calculation of the reaction rates with more than a 25% increase at the temperatures of future fusion reactors.

Investigation of (n,γ) reactions in fissionable fluids in a hybrid reactor system

Energy Technology Data Exchange (ETDEWEB)

Guenay, Mehtap [Inoenue Univ., Malatya (Turkey). Physics Dept.

2014-06-15

In this study, the effect of (n,γ) reactions in spent fuel-grade (SFG)-PuO{sub 2}, UO{sub 2}, NpO{sub 2} and UCO contents was investigated in a designed hybrid reactor system. In this system, the molten salt-heavy metal mixtures 93 - 85 % Li{sub 20}Sn{sub 80} + 5 % SFG-PuO{sub 2} and 2 - 10 % UO{sub 2}, 93 - 85 % Li{sub 20}Sn{sub 80} + 5 % SFG-PuO{sub 2} and 2 - 10 % NpO{sub 2}, 93 - 85 % Li{sub 20}Sn{sub 80} + 5 % SFG-PuO{sub 2} and 2 - 10 % UCO were used as fluids. Beryllium (Be) is used as neutron multiplier by (n,2n) reactions. Thence, a Be zone with a width of 3 cm was used in order to contribute on fissile fuel breeding between the liquid first wall and blanket. (n,γ) reactions were calculated in the liquid first wall, blanket and shield zones, which SFG-PuO{sub 2}, UO{sub 2}, NpO{sub 2} and UCO contents. 9Cr2WVTa ferritic steel with the width of 4 cm was used as the structural material. Three-dimensional nucleonic calculations were performed using the most recent version MCNPX-2.7.0 the Monte Carlo code and nuclear data library ENDF/B-VII.0. (orig.)

Temperature dependent halogen activation by N2O5 reactions on halide-doped ice surfaces

Directory of Open Access Journals (Sweden)

J. A. Thornton

2012-06-01

Full Text Available We examined the reaction of N2O5 on frozen halide salt solutions as a function of temperature and composition using a coated wall flow tube technique coupled to a chemical ionization mass spectrometer (CIMS. The molar yield of photo-labile halogen compounds was near unity for almost all conditions studied, with the observed reaction products being nitryl chloride (ClNO2 and/or molecular bromine (Br2. The relative yield of ClNO2 and Br2 depended on the ratio of bromide to chloride ions in the solutions used to form the ice. At a bromide to chloride ion molar ratio greater than 1/30 in the starting solution, Br2 was the dominant product otherwise ClNO2 was primarily produced on these near pH-neutral brines. We demonstrate that the competition between chlorine and bromine activation is a function of the ice/brine temperature presumably due to the preferential precipitation of NaCl hydrates from the brine below 250 K. Our results provide new experimental confirmation that the chemical environment of the brine layer changes with temperature and that these changes can directly affect multiphase chemistry. These findings have implications for modeling air-snow-ice interactions in polar regions and likely in polluted mid-latitude regions during winter as well.

Fe-N-C electrocatalysts for oxygen reduction reaction synthesized by using aniline salt and Fe3+/H2O2 catalytic system

KAUST Repository

Bukola, Saheed; Merzougui, Belabbes A.; Akinpelu, Akeem; Laoui, Tahar; Hedhili, Mohamed N.; Swain, Greg M.; Shao, Minhua

2014-01-01

Non-precious metal (NPM) catalysts are synthesized by polymerizing aniline salt using an aqueous Fe3+/H2O2 coupled catalytic system on a carbon matrix with a porous creating agent. The sulfur containing compunds such as ammonium peroxydisulfate, are eliminated in this method resulting in a much simpler process. The catalysts' porous structures are enhanced with ammonium carbonate as a sacrificial material that yields voids when decomposed during the heat treatment at 900 °C in N2 atmosphere. Two catalysts Fe-N-C/Vu and Fe-N-C/KB (Vu = Vulcan and KB = Ketjen black) were synthesized and characterized. Their oxygen reduction reaction (ORR) activities were investigated using a rotating ring-disk electrode (RRDE) in both 0.1 M KOH and 0.1 M HClO4. The catalysts show improved ORR activities close to that of Pt-based catalysts, low H2O2 formation and also demonstrated a remarkable tolerance towards methanol oxidation.

Fe-N-C electrocatalysts for oxygen reduction reaction synthesized by using aniline salt and Fe3+/H2O2 catalytic system

KAUST Repository

Bukola, Saheed

2014-11-01

Non-precious metal (NPM) catalysts are synthesized by polymerizing aniline salt using an aqueous Fe3+/H2O2 coupled catalytic system on a carbon matrix with a porous creating agent. The sulfur containing compunds such as ammonium peroxydisulfate, are eliminated in this method resulting in a much simpler process. The catalysts\\' porous structures are enhanced with ammonium carbonate as a sacrificial material that yields voids when decomposed during the heat treatment at 900 °C in N2 atmosphere. Two catalysts Fe-N-C/Vu and Fe-N-C/KB (Vu = Vulcan and KB = Ketjen black) were synthesized and characterized. Their oxygen reduction reaction (ORR) activities were investigated using a rotating ring-disk electrode (RRDE) in both 0.1 M KOH and 0.1 M HClO4. The catalysts show improved ORR activities close to that of Pt-based catalysts, low H2O2 formation and also demonstrated a remarkable tolerance towards methanol oxidation.

Homoepitaxial growth of a-plane GaN layers by reaction between Ga2O vapor and NH3 gas

International Nuclear Information System (INIS)

Sumi, Tomoaki; Taniyama, Yuuki; Takatsu, Hiroaki; Juta, Masami; Kitamoto, Akira; Imade, Mamoru; Yoshimura, Masashi; Mori, Yusuke; Isemura, Masashi

2015-01-01

Growth of high-quality a-plane GaN layers was performed by reaction between Ga 2 O vapor and NH 3 gas at a high temperature. Smooth a-plane GaN epitaxial layers were obtained on a-plane GaN seed substrates sliced from thick c-plane GaN crystals. Growth rate increased with increasing Ga 2 O partial pressure. An a-plane GaN layer with a growth rate of 48 μm/h was obtained. The X-ray rocking curve (XRC) measurement showed that the full widths at half maximum (FWHMs) of GaN(112-bar0) with the incident beam parallel and perpendicular to the [0001] direction were 29–43 and 29–42 arcsec, respectively. Secondary ion mass spectrometry (SIMS) measurement revealed that oxygen concentration decreased at a high temperature. These results suggest that growth of a-GaN layers using Ga 2 O vapor and NH 3 gas at a high temperature enables the generation of high-quality crystals. (author)

Foetal antigen 2 (FA2) in the stromal reaction induced by breast carcinoma

DEFF Research Database (Denmark)

Rasmussen, H B; Teisner, B; Andersen, J A

1992-01-01

An indirect immunoperoxidase technique was used to examine the distribution of foetal antigen 2 (FA2), a recently described basement membrane (BM)-associated antigen, in invasive breast carcinoma (n = 34), fibroadenoma (n = 5) and normal breast tissue (n = 5), and to compare its distribution...... with that of laminin and collagen type IV. In normal breast tissue, FA2 was detected in the intralobular stroma as a broad band around acini and ducts, but was not present in the interlobular stroma. In areas of carcinoma in situ, FA2 was present diffusely around and in close contact with the glandular elements......, the staining being more intense than that found around normal glandular structures. Two distinct patterns of FA2 distribution were found in adenocarcinomas of the breast. In the fibroblast reaction type, fibroblast staining dominated, whilst in the stromal reaction type, intense and extensive staining...

A study of the 89Y (n,n'γ)89Y reaction

International Nuclear Information System (INIS)

Nardelli, G.; Tornielli, G.

1985-01-01

Energy levels of 89 Y were populated by the 89 Y(n,n'γ) reaction at neutron energies between 2.2 and 4.8 MeV. A time gated (HP)Ge spectrometer was used to detect the deexcitation γ-rays. Forty-three levels through 4537 KeV excitation energy were identified in this way, two of which were previously unreported. Spins and parities were determined within the framework of the statistical theory from the angular distributions and excitation functions of the observed γ-rays. A complete level and decay scheme for 89 Y up to an excitation of 4.32 MeV is presented

(p,n) and (n,p) reactions as probes of isovector giant monopole resonances

International Nuclear Information System (INIS)

Auerbach, N.; Bowman, J.D.; Franey, M.A.; Love, W.G.

1983-01-01

Nucleon charge exchange reactions are explored as prospective probes of isovector giant monopole resonances. Using charge exchange transition densities based on random-phase approximation sum rules, distorted wave impulse approximation calculations are made for the (p,n) and (n,p) reactions exciting the isovector giant monopole resonances in several nuclei at bombarding energies of 120 and 800 MeV. Based on our calculations, the charge exchange reactions at 800 MeV appear more promising

Study of (α , p) and (α , n) reactions with a Multi-Sampling Ionization Chamber

Science.gov (United States)

Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; Ayangeakaa, A. D.; Dickerson, C.; Hoffman, C. R.; Jiang, C. L.; Kay, B. P.; Lai, J.; Nusair, O.; Pardo, R. C.; Santiago-Gonzalez, D.; Talwar, R.; Ugalde, C.

2017-07-01

A large number of (α , p) and (α , n) reactions are known to play a fundamental role in nuclear astrophysics. This work presents a novel technique to study these reactions with the active target system MUSIC whose segmented anode allows the investigation of a large energy range of the excitation function with a single beam energy. In order to verify the method, we performed direct measurements of the previously measured reactions 17O (α , n) 20Ne, 23Na (α , p) 26Mg, and 23Na (α , n) 26Al. These reactions were investigated in inverse kinematics using 4He gas in the detector to study the excitation functions in the energy range of about 2-6 MeV in the center of mass. We found good agreement between the cross sections of the 17O (α , n) 20Ne reaction measured in this work and previous measurements. Furthermore we have successfully performed a simultaneous measurement of the 23Na (α , p) 26Mg and 23Na (α , n) 26Al reactions.

Variational Flooding Study of a SN2 Reaction.

Science.gov (United States)

Piccini, GiovanniMaria; McCarty, James J; Valsson, Omar; Parrinello, Michele

2017-02-02

We have studied the reaction dynamics of a prototypical organic reaction using a variationally optimized truncated bias to accelerate transitions between educt and product reactant states. The asymmetric S N 2 nucleophilic substitution reaction of fluoromethane and chloromethane CH 3 F + Cl - ⇌ CH 3 Cl + F - is considered, and many independent biased molecular dynamics simulations have been performed at 600, 900, and 1200 K, collecting several hundred transitions at each temperature. The transition times and relative rate constants have been obtained for both reaction directions. The activation energies extracted from an Arrhenius plot compare well with standard static calculations.

Investigation of the (n,2n) reaction by the statistical model

International Nuclear Information System (INIS)

Holub, E.; Bersillon, O.; Cindro, N.; Jary, J.

1975-01-01

A systematic calculation of (n,2n) cross sections for about 80 nuclei in the 5-7MeV excess energy range was undertaken using a statistical model. All the input parameters were fixed or slowly varying with A. The results were compared with other theoretical calculations and experimental values [fr

Investigation of the (n,2n) reaction by the statistical model

Energy Technology Data Exchange (ETDEWEB)

Holub, E; Bersillon, O; Cindro, N; Jary, J

1975-01-01

A systematic calculation of (n,2n) cross sections for about 80 nuclei in the 5-7MeV excess energy range was undertaken using a statistical model. All the input parameters were fixed or slowly varying with A. The results were compared with other theoretical calculations and experimental values.

GaN CVD Reactions: Hydrogen and Ammonia Decomposition and the Desorption of Gallium

International Nuclear Information System (INIS)

Bartram, Michael E.; Creighton, J. Randall

1999-01-01

Isotopic labeling experiments have revealed correlations between hydrogen reactions, Ga desorption, and ammonia decomposition in GaN CVD. Low energy electron diffraction (LEED) and temperature programmed desorption (TPD) were used to demonstrate that hydrogen atoms are available on the surface for reaction after exposing GaN(0001) to deuterium at elevated temperatures. Hydrogen reactions also lowered the temperature for Ga desorption significantly. Ammonia did not decompose on the surface before hydrogen exposure. However, after hydrogen reactions altered the surface, N 15 H 3 did undergo both reversible and irreversible decomposition. This also resulted in the desorption of N 2 of mixed isotopes below the onset of GaN sublimation, This suggests that the driving force of the high nitrogen-nitrogen bond strength (226 kcal/mol) can lead to the removal of nitrogen from the substrate when the surface is nitrogen rich. Overall, these findings indicate that hydrogen can influence G-aN CVD significantly, being a common factor in the reactivity of the surface, the desorption of Ga, and the decomposition of ammonia

Angular Distributions of Neutrons from (p,n)-Reactions in some Mirror Nuclei

Energy Technology Data Exchange (ETDEWEB)

Stroemberg, L G; Wiedling, T; Holmqvist, B

1964-04-15

The angular distributions of neutrons from the reactions {sup 13}C (p,n) {sup 13}N and {sup 19}F (p, n) {sup 19}Ne have been measured for some energies close to the reactions threshold. For the reaction {sup 9}B (p, n) {sup 9}C angular distributions have been measured at several proton energies below the reaction threshold of the neutrons to the first excited state in {sup 11}C . A 5.5 MeV Van de Graaff has been used for the experiments. The neutrons were detected with a long counter. The measurements were carried out for 16 energies for the B (p,n) reaction, 3 energies for the C (p, n) reaction, and for 7 energies for the F 19(p, n) reaction. One of the main reasons for investigating these (p, n) reactions was to check whether the direct reaction process is important at low proton energies as well as close to reaction thresholds in nuclei consisting of closed shells of neutrons and protons either with an extra nucleon outside the closed shell or a nucleon hole. Comparisons with a theory proposed by Bloom, Glendenning, and Moszkowski have been performed.

Measurement of the Ir-191,193(n,2n)Ir-190,192 Reaction Cross Section Between 9.0 and 16.5 MeV

Science.gov (United States)

Wildenhain, Elizabeth; Finch, Sean; Tornow, Werner; Krishichayan, F.

2017-09-01

Iridium is one of the elements prioritized by Nonproliferation and Homeland Security agencies. In addition, Ir-192 is being used in various medical treatments. Improved data and corresponding evaluations of neutron-induced reactions on the iridium isotopes are required to meet the demands of several applications of societal interest. This study measured the cross section of the Ir-191,193(n, 2n)Ir-190,192 reactions at energies from 9.0 to 16.5 MeV using the activation technique. Natural Ir samples [Ir-191 37.3%, Ir-193 62.7%] were sandwiched between Au-197 monitor foils and irradiated with monoenergetic neutron beams at the tandem facility of the Triangle Universities Nuclear Laboratory (TUNL). Gamma rays from the irradiated samples were counted in TUNL's low background facility using high-efficient HPGe detectors. Measured cross-section data are compared to previous data and to predictions from nuclear data libraries (e.g. ENDF). Research at TUNL funded by the NSF.

Application of multi-step direct reaction theory to 14 MeV neutron reaction, 3 (n,. cap alpha. )

Energy Technology Data Exchange (ETDEWEB)

Kumabe, I.; Matoba, M.; Fukuda, K. [Kyushu Univ., Fukuoka (Japan). Faculty of Engineering; Ikegami, H.; Muraoka, M [eds.

1980-01-01

Multi-step direct-reaction theory proposed by Tamura et al. has been applied to continuous spectra of the 14 MeV (n, ..cap alpha..) reaction with some modifications. Calculated results reproduce well the experimental energy and angular distributions of the 14 MeV (n, ..cap alpha..) reactions.

Studies of N ~ 40 Ni isotopes via neutron-knockout (nKO) and deep-inelastic (DI) reactions

Science.gov (United States)

Chiara, C. J.; Recchia, F.; Gade, A.; Janssens, R. V. F.; Walters, W. B.

2013-10-01

V. BADER, T. BAUGHER, D. BAZIN, J.S. BERRYMAN, B.A. BROWN, C. LANGER, N. LARSON, S.N. LIDDICK, E. LUNDERBERG, S. NOJI, C. PROKOP, S.R. STROBERG, S. SUCHYTA, D. WEISSHAAR, S. WILLIAMS, NSCL/MSU, M. ALBERS, M. ALCORTA, P.F. BERTONE, M.P. CARPENTER, J. CHEN, C.R. HOFFMAN, F.G. KONDEV, T. LAURITSEN, A.M. ROGERS, D. SEWERYNIAK, S. ZHU, ANL, C.M. CAMPBELL, LBNL, H.M. DAVID, D.T. DOHERTY, U. of Edinburgh/ANL, A. KORICHI, CSNSM-IN2P3/ANL, C.J. LISTER, U. of Mass.-Lowell, K. WIMMER, Central Mich. U. -- Excited states in 68Ni were populated in 2nKO reactions at NSCL. Prompt γ rays were detected with the GRETINA array located in front of the S800 separator. A hodoscope at the S800 focal plane captured the 68Ni ions, where isomeric decays could be correlated with prompt γ rays. Decay of the first excited state, a 0+ isomer, was observed, confirming that its energy substantially differs from the literature value. Comparing the decay patterns of excited states with shell-model calculations provides insight into their underlying structure. Data from 70Zn + 208Pb DI reactions studied with Gammasphere provide results consistent with the 2nKO. Single-particle strengths are also under investigation in the odd- A Ni isotopes via 1nKO reactions. Supported in part by the DoE (DE-FG02-94ER40834, DE-AC02-06CH11357), NSF (PHY-1102511), and NNSA (DE-NA0000979).

Experimental study of the (n,alpha) reaction on a set of light nuclei

International Nuclear Information System (INIS)

Khryachkov, V.A.; Bondarenko, I.P.; Kuzminov, B.D.; Semenova, N.N.; Sergachev, A.I.; Giorginis, G.

2011-01-01

An experimental setup based on an ionization chamber with Frisch grid and waveform digitizer was used for (n,α) cross-section measurements. The use of digital signal processing has allowed us to select a gaseous cell inside the sensitive area of the ionisation chamber with high accuracy. This kind of approach provides a powerful method to suppress background from detector components and parasitic reactions on the working gas. The new method is especially interesting for the study of reactions on elements for which solid target preparation is difficult (e.g. noble gases). Additionally it has the advantage of an accurate determination of the number of nonradioactive nuclei in the selected gas cell. In the present experiments a set of working gases was used, which contained admixtures of nitrogen, oxygen, neon, argon and boron. Fission of "2"3"8U was used as neutron flux monitor. The cross-section of the (n,α) reaction for "1"6O, "1"4N, "2"0Ne, "3"6Ar, "4"0Ar and the branching ratio α_0/α_1 of the "1"0B(n,α_0) to "1"0B(n,α_1) reactions were measured for neutron energies between 1.5 and 7 MeV. (authors)

Advances in the catalysts development in base of mixed oxides for control reactions of N{sub 2}O; Avances en el desarrollo de catalizadores a base de oxidos mixtos para reacciones de control de N{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Garcia, M.A.; Perez, R.; Gomez, A.; Diaz, G. [Instituto Nacional de Investigaciones Nucleares, A.P. 18-1027, C.P. 11801 Mexico D.F. (Mexico)

2000-07-01

The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were prepared by the precipitation and coprecipitation techniques. The catalytic supports Al{sub 2}O{sub 3}, La{sub 2}O{sub 3} and Al{sub 2}O{sub 3}-La{sub 2}O{sub 3} were characterized by several techniques for to determine texture (BET), crystallinity (XRD), chemical composition (SEM), FTIR and it was evaluated their total acidity by the reaction with 2-propanol. It was continued with the cobalt addition by Impregnation and coprecipitation and it was evaluated its catalytic activity in the N{sub 2}O decomposition reaction. Also it was realized the N{sub 2}O reduction with Co using these catalysts. (Author)

Synthesis of 2-Amino-3-hydroxy-3H-indoles via Palladium-Catalyzed One-Pot Reaction of Isonitriles, Oxygen, and N-Tosylhydrazones Derived from 2-Acylanilines.

Science.gov (United States)

Chu, Haoke; Dai, Qiang; Jiang, Yan; Cheng, Jiang

2017-08-04

A cyanide-free one-pot procedure was developed to access 2-amino-3-hydroxy-3H-indoles, which involved: (1) in situ formation of ketenimines by the reaction of N'-(1-(2-aminophenyl)ethylidene)-p-tosylhydrazones with isonitriles; (2) the intramolecular nucleophilic attack of ketenimines by the amino in phenyl furnishing the ring closure leading to 2-aminoindoles; (3) the oxidation of 2-aminoindoles by O 2 leading to 2-amino-3-hydroxy-3H-indoles. This strategy represents not only a key compliment to the sporadic synthetic methods toward 2-amino-3-hydroxy-3H-indoles but also progress in N-tosylhydrazone, isonitrile, and ketenimine chemistry.

Resonances in the nuclear reactions 15N + 12C and 15N + 16O

International Nuclear Information System (INIS)

Monnehan, G.A.

1987-06-01

The reaction 12 C + 15 N have been studied at 15 N beam energies between 30 and 70 MeV. For each reaction, about twelve residual nuclei have been identified through the γ-ray detection method. Excitation functions were obtained for the fusion and peripheral channels. Resonances are seen in the channels containing at least one α particle at energies below 50 MeV. At higher energies, strong structures are observed in the direct reaction channels. The evolution of the fusion cross section is well reproduced by a model based on the statistical desexcitation of the compound nucleus if the discrete states of the residual nuclei are taken into account. The favourable observation of resonant phenomena in 15 N induced reactions can be understood in terms of a small number of channels open to the grazing wave. In the range 50 to 60 MeV, there is a strong coupling between the fusion and the direct reaction channels. The occurrence of resonances above E lab = 50 MeV in the peripheral channels is explained with the band crossing and effective barrier models. In the 15 N induced reactions, the absorption of the surface waves is weak [fr

Th{sup 232} (n,2n) Th{sup 231} cross section from threshold to 20.4 Mev

Energy Technology Data Exchange (ETDEWEB)

Butler, J P; Santry, D C

1961-07-01

The excitation curve for the reaction Th{sup 232} (n,2n) Th{sup 231} has been measured by the activation method from the threshold energy, 6.34 Mev, to 20.4 Mev, relative to the known cross section for the S{sup 32} (n, p) P{sup 32} reaction. Monoenergetic neutrons were obtained from the D (d,n) He{sup 3} and T (d,n) He{sup 4} reactions employing a Tandem Van de Graaff accelerator. From threshold to 9.0 Mev, the (n,2n) cross section rises rapidly, reaching its maximum value of 1.88 {+-} 0.09 barns in the region of 9.5 to 11.0 Mev. Above 11.5 Mev the (n,2n) cross section decreases due to competition of the (n,3n) and (n,2nf) reactions and at 20.4 Mev it has a value of 0.22{sub 5} {+-} 0.01{sub 5} barns. (author)

Complete active space second order perturbation theory (CASPT2) study of N({sup 2}D) + H{sub 2}O reaction paths on D{sub 1} and D{sub 0} potential energy surfaces: Direct and roaming pathways

Energy Technology Data Exchange (ETDEWEB)

Isegawa, Miho; Liu, Fengyi [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Kyoto 606-8103 (Japan); Maeda, Satoshi [Department of Chemistry, Faculty of Science, Hokkaido University, Sapporo 060-0810 (Japan); Morokuma, Keiji, E-mail: morokuma@fukui.kyoto-u.ac.jp [Fukui Institute for Fundamental Chemistry, Kyoto University, 34-4 Takano Nishihiraki-cho, Kyoto 606-8103 (Japan); Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States)

2014-10-21

We report reaction paths starting from N({sup 2}D) + H{sub 2}O for doublet spin states, D{sub 0} and D{sub 1}. The potential energy surfaces are explored in an automated fashion using the global reaction route mapping strategy. The critical points and reaction paths have been fully optimized at the complete active space second order perturbation theory level taking all valence electrons in the active space. In addition to direct dissociation pathways that would be dominant, three roaming processes, two roaming dissociation, and one roaming isomerization: (1) H{sub 2}ON → H–O(H)N → H–HON → NO({sup 2}Π) + H{sub 2}, (2) cis-HNOH → HNO–H → H–HNO → NO + H{sub 2}, (3) H{sub 2}NO → H–HNO → HNO–H → trans-HNOH, are confirmed on the D{sub 0} surface.

Study of the 17O(n,α)14C reaction: Extension of the Trojan Horse Method to neutron induced reactions

International Nuclear Information System (INIS)

Guardo, G. L.; Lamia, L.; Spitaleri, C.; Cherubini, S.; Rapisarda, G. G.; Sergi, M. L.; Gulino, M.; Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; Boer, R. de; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; OBrien, S.; Roberson, D.; Tan, W.; Wiescher, M.

2014-01-01

The experimental study of the 17 O(n,α) 14 C reaction has been performed in the energy range 0-350 keV. This reaction could play an important role in explaining heavy elements (s-process) nucleosynthesis in various astrophysical scenario. To overcome the practical problems arising from the neutrons production, a new application of the Trojan Horse Method has been recently suggested. In more details, the 17 O(n,α) 14 C reaction has been studied using the quasi-free 2 H( 17 O,α 14 C) 1 H reaction, induced at an energy of 43.5 MeV. The measurement allows one to investigate the ℓ=3, 75 keV resonance (E*=8.125 MeV, J π =5 − ), absent in the available direct measurements because of centrifugal suppression effects

Background studies of high energy γ rays from (n,γ) reactions in the CANDLES experiment

Science.gov (United States)

Nakajima, K.; Iida, T.; Akutagawa, K.; Batpurev, T.; Chan, W. M.; Dokaku, F.; Fushimi, K.; Kakubata, H.; Kanagawa, K.; Katagiri, S.; Kawasaki, K.; Khai, B. T.; Kino, H.; Kinoshita, E.; Kishimoto, T.; Hazama, R.; Hiraoka, H.; Hiyama, T.; Ishikawa, M.; Li, X.; Maeda, T.; Matsuoka, K.; Moser, M.; Nomachi, M.; Ogawa, I.; Ohata, T.; Sato, H.; Shamoto, K.; Shimada, M.; Shokati, M.; Takahashi, N.; Takemoto, Y.; Takihira, Y.; Tamagawa, Y.; Tozawa, M.; Teranishi, K.; Tetsuno, K.; Trang, V. T. T.; Tsuzuki, M.; Umehara, S.; Wang, W.; Yoshida, S.; Yotsunaga, N.

2018-07-01

High energy γ rays with several MeV produced by (n,γ) reactions can be a trouble for low background measurements in the underground laboratories such as double beta decay experiments. In the CANDLES project, which aimed to observe the neutrino-less double beta decay from 48Ca, γ rays caused by (n,γ) reactions were found to be the most significant background. The profile of the background was studied by measurements with a neutron source and a simulation with a validity check of neutron processes in Geant4. The observed spectrum of γ rays from (n,γ) reactions was well reproduced by the simulated spectra, which were originated from the surrounding rock and a detector tank made of stainless steel. The environmental neutron flux was derived by the observed event rate of γ rays from (n,γ) reactions using the simulation. The thermal and non-thermal neutron flux were found to be (1.3 ± 0.6) ×10-6 cm-2s-1 and (1.1 ± 0.5) ×10-5 cm-2s-1 , respectively. It is necessary to install an additional shield to reduce the background from (n,γ) reaction to the required level.

Synthesis of [2-13C, 2-14C] 2-aminoethanol, [1-13C, 1-14C] 2-chloroethylamine, N,N'-bis([1-13C, 1-14C] 2-chloroethyl)-N-nitrosourea(BCNU) and N-([1-13C, 1-14C] 2-chloroethyl)-N-nitrosourea(CNU)

International Nuclear Information System (INIS)

Narayan, R.; Chang, C-j.

1982-01-01

[2- 13 C, 2- 14 C]2-Aminoethanol hydrochloride was prepared in good yield from Na*CN in a two step sequence by first converting the Na*CN to OHCH 2 *CN and then reducing the nitrile directly with a solution of borane-tetrahydrofuran complex. The reaction procedure was simple and the pure product could be obtained readily. Using this specifically labelled precursor, the synthesis of [1- 13 C, 1- 14 C]2-chloroethylamine hydrochloride, N-([1- 13 C, 1- 14 C]2-chloroethyl)-N-nitrosourea(CNU) and N,N'-bis([1- 13 C, 1- 14 C]2-chloroethyl)-N-nitrosourea(BCNU) in good yield without isotope scrambling was also reported. (author)

Diaquabis[5-(2-pyridyltetrazolato-κ2N1,N5]iron(II

Directory of Open Access Journals (Sweden)

Min Hu

2009-04-01

Full Text Available The title complex, [Fe(C6H4N52(H2O2], was synthesized by the reaction of ferrous sulfate with 5-(2-pyridyl-2H-tetrazole (HL. The FeII atom, located on a crystallographic center of inversion, is coordinated by four N-atom donors from two planar trans-related deprotonated L ligands and two O atoms from two axial water molecules in a distorted octahedral geometry. The FeII mononuclear units are further connected by intermolecular O—H...N and C—H...O hydrogen-bonding interactions, forming a three-dimensional framework.

Bulk gold catalyzed oxidation reactions of amines and isocyanides and iron porphyrin catalyzed N-H and O-H bond insertion/cyclization reactions of diamines and aminoalcohols

Energy Technology Data Exchange (ETDEWEB)

Klobukowski, Erik [Iowa State Univ., Ames, IA (United States)

2011-01-01

This work involves two projects. The first project entails the study of bulk gold as a catalyst in oxidation reactions of isocyanides and amines. The main goal of this project was to study the activation and reactions of molecules at metal surfaces in order to assess how organometallic principles for homogeneous processes apply to heterogeneous catalysis. Since previous work had used oxygen as an oxidant in bulk gold catalyzed reactions, the generality of gold catalysis with other oxidants was examined. Amine N-oxides were chosen for study, due to their properties and use in the oxidation of carbonyl ligands in organometallic complexes. When amine N-oxides were used as an oxidant in the reaction of isocyanides with amines, the system was able to produce ureas from a variety of isocyanides, amines, and amine N-oxides. In addition, the rate was found to generally increase as the amine N-oxide concentration increased, and decrease with increased concentrations of the amine. Mechanistic studies revealed that the reaction likely involves transfer of an oxygen atom from the amine N-oxide to the adsorbed isocyanide to generate an isocyanate intermediate. Subsequent nucleophilic attack by the amine yields the urea. This is in contrast to the bulk gold-catalyzed reaction mechanism of isocyanides with amines and oxygen. Formation of urea in this case was proposed to proceed through a diaminocarbene intermediate. Moreover, formation of the proposed isocyanate intermediate is consistent with the reactions of metal carbonyl ligands, which are isoelectronic to isocyanides. Nucleophilic attack at coordinated CO by amine N-oxides produces CO{sub 2} and is analogous to the production of an isocyanate in this gold system. When the bulk gold-catalyzed oxidative dehydrogenation of amines was examined with amine N-oxides, the same products were afforded as when O{sub 2} was used as the oxidant. When the two types of oxidants were directly compared using the same reaction system and

Efficient one-pot, four-component synthesis of N,N-dibenzyl-N-{1-[5-(3-aryl-1,3,4-oxadiazol-2-yl]cyclobutyl}amine derivatives from the reaction of (isocyanoiminotriphenylphosphorane, dibenzylamine, an aromatic carboxylic acid and cyclobutanone

Directory of Open Access Journals (Sweden)

Shajari Nahid

2012-01-01

Full Text Available Four-component reaction of cyclobutanone, dibenzylamine and (Nisocyanimino triphenylphosphorane in the presence of aromatic carboxylic acids proceed smoothly at room temperature and under neutral conditions to afford N,N-dibenzyl-N-{1-[5-(3-aryl-1,3,4-oxadiazol-2-yl]cyclobutyl}amine derivatives in high yields.

Mechanism for the reaction of 2-naphthol with N-methyl-N-phenyl-hydrazine suggested by the density functional theory investigations.

Science.gov (United States)

Gao, Jie Ying; Zhang, Cheng Hua; Luo, Mei Ming; Kim, Chan Kyung; Chu, Wei; Xue, Ying

2012-01-15

For the first time the computed mechanisms for the novel reaction of 2-naphthol with N-methyl-N-phenylhydrazine, leading to 1-amino-2-naphthol (Tang et al., J Am Chem Soc 2008, 130, 5840), have been investigated using the density functional theory. Four distinct possible pathways were evaluated: two amination mechanisms with the attack of NH(2) group respectively at the α-position C1 and β-position C3 atoms of 2-naphthol (pathways 1 and 2) as well as two rearrangement processes with displacement of the phenolic hydroxyl group followed by the benzidine-like rearrangement at the α-position C1 and β-position C3 atoms of 2-naphthol, respectively (pathways 3 and 4). Solvent effect has been tested based on the optimized geometries of the stationary points in solution at the B3LYP/PCM/6-31+G(d,p) level of theory with an averaged dielectric constant of binary solvent. Single-point energies of the optimized structures have been calculated using three hybrid density functionals, B3LYP, MPW3LYP, and B3PW91 with the 6-311++G(3df,2p) basis set. Our computed results clearly manifest that pathway 1 (α-amination) has the highest possibility to occur, with the Gibbs free energies being lower by 6 to 20 kcal/mol compared with the other three pathways, which leads to 1-amino-2-naphthol and N-methylaniline as products. It is in excellent agreement with the experimental observation. Copyright © 2011 Wiley Periodicals, Inc.

Reaction mechanisms of CO2 activation and catalytic reduction

International Nuclear Information System (INIS)

Wolff, Niklas von

2016-01-01

The use of CO 2 as a C1 chemical feedstock for the fine chemical industry is interesting both economically and ecologically, as CO 2 is non-toxic, abundant and cheap. Nevertheless, transformations of CO 2 into value-added products is hampered by its high thermodynamic stability and its inertness toward reduction. In order to design new catalysts able to overcome this kinetic challenge, a profound understanding of the reaction mechanisms at play in CO 2 reduction is needed. Using novel N/Si+ frustrated Lewis pairs (FLPs), the influence of CO 2 adducts and different hydro-borane reducing agents on the reaction mechanism in the catalytic hydroboration of CO 2 were investigated, both by DFT calculations and experiments. In a second step, the reaction mechanism of a novel reaction for the creation of C-C bonds from CO 2 and pyridyl-silanes (C 5 H 4 N-SiMe 3 ) was analyzed by DFT calculations. It was shown that CO 2 plays a double role in this transformation, acting both as a catalyst and a C1-building block. The fine understanding of this transformation then led to the development of a novel approach for the synthesis of sulfones and sulfonamides. Starting from SO 2 and aromatic silanes/amine silanes, these products were obtained in a single step under metal-free conditions. Noteworthy, sulfones and sulfonamides are common motifs in organic chemistry and found in a variety of highly important drugs. Finally, this concept was extended to aromatic halides as coupling partners, and it was thus shown for the first time that a sulfonylative Hiyama reaction is a possible approach to the synthesis of sulfones. (author) [fr

Reactions of electronically excited molecular nitrogen with H2 and H2O molecules: theoretical study

Science.gov (United States)

Pelevkin, Alexey V.; Sharipov, Alexander S.

2018-05-01

Comprehensive quantum chemical analysis with the usage of the second-order perturbation multireference XMCQDPT2 approach was carried out to study the processes in the   +  H2 and   +  H2O systems. The energetically favorable reaction pathways have been revealed based on the exploration of potential energy surfaces. It has been shown that the reactions   +  H2 and   +  H2O occur with small activation barriers and, primarily, lead to the formation of N2H  +  H and N2H  +  OH products, respectively. Further, the interaction of these species could give rise to the ground state and H2 (or H2O) products, however, the estimations, based on RRKM theory and dynamic reaction coordinate calculations, exhibited that the   +  H2 and   +  H2O reactions lead to the dissociative quenching predominately. Appropriate rate constants for revealed reaction channels have been estimated by using a canonical variational theory and capture approximation. Corresponding three-parameter Arrhenius expressions for the temperature range T  =  300  ‑  3000 K were reported.

Neutron energy spectra of sup 2 sup 5 sup 2 Cf, Am-Be source and of the D(d,n) sup 3 He reaction

CERN Document Server

Sang Tae Park

2003-01-01

The neutron energy spectrum of the following sources were measured using a fast neutron spectrometer with the NE-213 liquid scintillator: sup 2 sup 5 sup 2 Cf, Am-Be and D(d,n) sup 3 He reaction from a 3 MeV Pelletron accelerator in Tokyo Institute of Technology. The measured proton recoil pulse height data of sup 2 sup 5 sup 2 Cf, Am-Be and D(d,n) sup 3 He were unfolded using the mathematical program to obtain the neutron energy spectrum. The sup 2 sup 5 sup 2 Cf and Am-Be neutron energy spectra were measured and the results obtained showed a good agreement with the spectra usually published in the literature. The neutron energy spectrum from D(d,n) sup 3 He was measured and the results obtained also showed a good agreement with the calculation by time of flight (TOF) methods. (author)

Theoretical stusy of the reaction between 2,2',4' - trihydroxyazobenzene-5-sulfonic acid and zirconium

Science.gov (United States)

Fletcher, Mary H.

1960-01-01

Zirconium reacts with 2,2',4'-trihydroxyazobenzene-5-sulfonic acid in acid solutions to Form two complexes in which the ratios of dye to zirconium are 1 to 1 and 2 to 1. Both complexes are true chelates, with zirconium acting as a bridge between the two orthohydroxy dye groups. Apparent equilibrium constants for the reactions to form each of the complexes are determined. The reactions are used as a basis for the determination of the active component in the dye and a graphical method for the determination of reagent purity is described. Four absorption spectra covering the wave length region from 350 to 750 mu are given, which completely define the color system associated with the reactions in solutions where the hydrochloric acid concentration ranges from 0.0064N to about 7N.

Investigation of {sup 136} Ba gamma-Transitions in the (n,n` gamma) Reaction

Energy Technology Data Exchange (ETDEWEB)

Sergiwa, S M [University of Garyuonis, Benghazi, (Libyan Arab Jamahiriya); Rateb, G M; Zleetni, S M; dufani, M M; Shermit, A M; Al Hamidi, M M [Tajoura Nuclear Research Center, Tripoli, (Libyan Arab Jamahiriya); El-Ahrash, M S [7th of April University, Zawia, (Libyan Arab Jamahiriya)

1995-10-01

Using the reactor fast neutron beam, angular distribution and linear polarization of gamma-rays emitted from the {sup 136} Ba (n,n` gamma) reaction were measured. From these measurements, a decay scheme of {sup 1}36{sup B}a has been constructed. New spin and parity (J{pi}) assignments as well as resolving ambiguities in previous assignments for some levels were done. In addition, multipole mixing rations ({delta} - values, important for model comparison) have been unambiguously determined for many gamma-transitions. 1 fig., 2 tabs.

Generation of N-Heterocycles via Tandem Reactions of N '-(2-Alkynylbenzylidene)hydrazides.

Science.gov (United States)

Qiu, Guanyinsheng; Wu, Jie

2016-02-01

As a powerful synthon, N '-(2-alkynylbenzylidene)hydrazides have been utilized efficiently for the construction of N-heterocycles. Since N '-(2-alkynylbenzylidene)hydrazides can easily undergo intramolecular 6-endo cyclization promoted by silver triflate or electrophiles, the resulting isoquinolinium-2-yl amides can proceed through subsequent transformations including [3 + 2] cycloaddition, nucleophilic addition, and [3 + 3] cycloaddition. Several unexpected rearrangements via radical processes were observed in some cases, which afforded nitrogen-containing heterocycles with molecular complexity. Reactive partners including internal alkynes, arynes, ketenimines, ketenes, allenoates, and activated alkenes reacted through [3 + 2] cycloaddition and subsequent aromatization, leading to diverse H-pyrazolo[5,1-a]isoquinolines with high efficiency. Nucleophilic addition to the in situ generated isoquinolinium-2-yl amide followed by aromatization also produced H-pyrazolo[5,1-a]isoquinoline derivatives when terminal alkynes, carbonyls, enamines, and activated methylene compounds were used as nucleophiles. Isoquinoline derivatives were obtained when indoles or phosphites were employed as nucleophiles in the reactions of N '-(2-alkynylbenzylidene)hydrazides. A tandem 6-endo cyclization and [3 + 3] cycloaddition of cyclopropane-1,1-dicarboxylates with N '-(2-alkynylbenzylidene)hydrazides was observed as well. Small libraries of these compounds were constructed. Biological evaluation suggested that some compounds showed promising activities for inhibition of CDC25B, TC-PTP, HCT-116, and PTP1B. © 2015 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Determination of {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV

Energy Technology Data Exchange (ETDEWEB)

Vansola, Vibha; Mukherjee, Surjit [M.S. University of Baroda, Vadodara (India). Dept. of Physics; Naik, Haladhara [Bhabha Atomic Research Center, Mumbai (India). Radiochemistry Div.; Suryanarayana, Saraswatula Venkata [Bhabha Atomic Research Center, Mumbai (India). Nuclear Physics Div.; Ghosh, Reetuparna; Badwar, Sylvia; Lawriniang, Bioletty Mary [North Eastern Hill Univ., Meghalaya (India). Dept. of Physics; Sheela, Yerraguntla Santhi [Manipal Univ. (India). Dept. of Statistics

2016-07-01

The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-sections at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV were determined by using activation and off-line γ-ray spectrometric technique. The neutron energies of 1.12 and 2.12 MeV were generated from the {sup 7}Li(p,n) reaction by using the proton energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at BARC. For the neutron energies of 3.12 and 4.12 MeV, the proton energies used were 5 and 6 MeV from the Pelletron facility at TIFR, Mumbai. The {sup 115}In(n,γ){sup 116m}In reaction cross-section was used as the neutron flux monitor. The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section at the neutron energies of 4.12 MeV are reported for the first time, whereas at 1.12, 2.12 and 3.12 MeV, they are in between the literature data. The {sup 55}Mn(n,γ){sup 56}Mn reaction cross-section was also calculated theoretically by using the computer code TALYS 1.6 and EMPIRE 3.2.2. The experimental data of present work are found to be in between the theoretical values of TALYS and EMPIRE.

The rate coefficient for the reaction NO2 + NO3 yielding NO + NO2 + O2 from 273 to 313 K

Science.gov (United States)

Cantrell, Chris A.; Shetter, Richard E.; Mcdaniel, Anthony H.; Calvert, Jack G.

1990-01-01

The ratio of rate constants for the reaction NO3 + NO yielding 2 NO2 (k3) and the reaction NO2 + NO3 yielding NO + NO2 + O2 (k4) were determined by measuring of NO and NO2 concentrations of NO and NO2 in an N2O5/NO2/N2 mixture over the temperature range 273-313 K. The measured ratio was found to be expressed by the equation k3/k4 = 387 exp(-1375/T). The results are consistent with those of Hammer et al. (1986).

Response-function measurement of an NE213 scintillator using the [sup 2]H(d, n)[sup 3]He reaction

Energy Technology Data Exchange (ETDEWEB)

Aksoy, A. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Coban, A. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Naqvi, A.A. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Khiari, F.Z. (Energy Research Lab., King Fahd Univ. of Petroleum and Minerals, Dhahran (Saudi Arabia)); Hanly, J.M. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Howell, C.R. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Tornow, W. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Felsher, P.D. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Al-Ohali, M.A. (Duke Univ., Nuclear Labs., Durham, NC (United States)); Walter, R.L. (Duke Univ., Nuclear Labs., Durham, NC (United States))

1994-01-01

The response function of a 12.5 cm diameter NE213 scintillator detector has been measured over neutron energies ranging from 4.9 to 16.6 MeV. Beams of monoenergetic neutrons were produced using the [sup 2]H(d, n)[sup 3]He reaction. The response function is about 12% lower than previously reported values for a similar detector obtained using a continuous spectrum of neutrons from a [sup 252]Cf fission source. However, the present response function agrees with portions of data sets obtained in published work that used monoenergetic neutron source reactions. (orig.)

Ab initio studies of O2-(H2O)n and O3-(H2O)n anionic molecular clusters, n≤12

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Kurtén, T.; Enghoff, Martin Andreas Bødker

2011-01-01

that anionic O2−(H2O)n and O3−(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding. Although...... clustering up to 12 H2O, we find that the O2 and O3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O2− and O3− speicies are thus accessible for further reactions. Finally, the thermodynamics of a few relevant cluster reactions are considered....

Communication: Equilibrium rate coefficients from atomistic simulations: The O(3P) + NO(2Π) → O2(X3Σg−) + N(4S) reaction at temperatures relevant to the hypersonic flight regime

International Nuclear Information System (INIS)

Castro-Palacio, Juan Carlos; Bemish, Raymond J.; Meuwly, Markus

2015-01-01

The O( 3 P) + NO( 2 Π) → O 2 (X 3 Σ g − ) + N( 4 S) reaction is among the N- and O- involving reactions that dominate the energetics of the reactive air flow around spacecraft during hypersonic atmospheric re-entry. In this regime, the temperature in the bow shock typically ranges from 1000 to 20 000 K. The forward and reverse rate coefficients for this reaction derived directly from trajectory calculations over this range of temperature are reported in this letter. Results compare well with the established equilibrium constants for the same reaction from thermodynamic quantities derived from spectroscopy in the gas phase which paves the way for large-scale in silico investigations of equilibrium rates under extreme conditions

Communication: Equilibrium rate coefficients from atomistic simulations: The O((3)P) + NO((2)Π) → O2(X(3)Σg(-)) + N((4)S) reaction at temperatures relevant to the hypersonic flight regime.

Science.gov (United States)

Castro-Palacio, Juan Carlos; Bemish, Raymond J; Meuwly, Markus

2015-03-07

The O((3)P) + NO((2)Π) → O2(X(3)Σg(-)) + N((4)S) reaction is among the N- and O- involving reactions that dominate the energetics of the reactive air flow around spacecraft during hypersonic atmospheric re-entry. In this regime, the temperature in the bow shock typically ranges from 1000 to 20,000 K. The forward and reverse rate coefficients for this reaction derived directly from trajectory calculations over this range of temperature are reported in this letter. Results compare well with the established equilibrium constants for the same reaction from thermodynamic quantities derived from spectroscopy in the gas phase which paves the way for large-scale in silico investigations of equilibrium rates under extreme conditions.

Reactions UF4 - ClO2F and UF5 - ClO2F

International Nuclear Information System (INIS)

Benoit, Raymond; Besnard, Ginette; Hartmanshenn, Olivier; Luce, Michel; Mougin, Jacques; Pelissie, Jean

1970-02-01

The study of the reaction UF 4 - ClO 2 F between 0 deg. and 100 deg. C, by various techniques (micro-sublimation, isopiestic method, IR and UV spectrography, thermogravimetry and X-ray diffraction) shows that intermediate steps are possible before the production of UF 5 . The whole reaction may be schematised by two equations: (1) n UF 4 + ClO 2 F → n UF x + ClO 2 (4 4 + ClO 2 F → UF x + 1/2 Cl 2 + O 2 . The more the temperature rises, the more the second equation becomes experimentally verified. The reaction at 0 deg. C between UF 5 and ClO 2 F may be represented by: UF 5 + ClO 2 F → UF 6 ClO 2 . The reactions: UF 5 + ClO 2 F → UF 6 + ClO 2 , UF 5 + ClO 2 F → UF 6 + 1/2 Cl 2 + O 2 are verified, the first and the second at 25 deg. C., the second from 50 deg. to 150 deg. C. From the results of AGRON it is possible to predict the residual solids before complete volatilization as UF 6 . The IR spectra of ClO 2 F adsorbed on UF 4 and UF x at 60 deg. C have been compared with those of gaseous ClO 2 F and UF 6 adsorbed on UF 4 . (authors) [fr

Reaction of silanes in supercritical CO2 with TiO2 and Al2O3.

Science.gov (United States)

Gu, Wei; Tripp, Carl P

2006-06-20

Infrared spectroscopy was used to investigate the reaction of silanes with TiO2 and Al2O3 using supercritical CO2 (Sc-CO2) as a solvent. It was found that contact of Sc-CO2 with TiO2 leads to partial removal of the water layer and to the formation of carbonate, bicarbonate, and carboxylate species on the surface. Although these carbonate species are weakly bound to the TiO2 surface and can be removed by a N2 purge, they poison the surface, resulting in a lower level of reaction of silanes with TiO2. Specifically, the amount of hexamethyldisilazane adsorbed on TiO2 is about 10% of the value obtained when the reaction is performed from the gas phase. This is not unique to TiO2, as the formation of carbonate species also occurs upon contact of Al2O3 with Sc-CO2 and this leads to a lower level of reaction with hexamethyldisilazane. This is in contrast to reactions of silanes on SiO2 where Sc-CO2 has several advantages over conventional gaseous or nonaqueous methods. As a result, caution needs to be applied when using Sc-CO2 as a solvent for silanization reactions on oxides other than SiO2.

Reaction of (carbonylimido)sulfur(IV) derivatives with TAS-fluoride, (Me2N)3S+Me3SiF2-.

Science.gov (United States)

Lork, E; Viets, D; Mews, R; Oberhammer, H

2000-10-16

In the reaction of TAS-fluoride, (Me2N)3S+Me3SiF2-, with carbonyl sulfur difluoride imides RC(O)NSF2 (R = F, CF3), C-N bond, cleavage is observed, and TAS+RC(O)F2- and NSF are the final products. From TASF and RC(O)NS(CF3)F, the salts TAS+RC(O)NS(CF3)F2- (R = F (14), CF3 (15)), with psi-pentacoordinate sulfur centers in the anions, are formed. An X-ray structure investigation of 14 shows that the fluorine atoms occupy axial positions and CF3, NC(O)F, and the sulfur lone pair occupy equatorial positions of the trigonal bipyramid. The -C(O)F group lies in the equatorial plane with the CO bond synperiplanar to the SN bond. According to B3LYP calculations, this structure corresponds to a global minimum and the expected axial orientation of the -C(O)F group represents a transition state. Calculations for the unstable FC(O)NSF3- anion show a different geometry. The -C(O)F group deviates 40 degrees from axial orientation, and the equatorially bonded fluorine is, in contrast to the -CF3 group in 14, syn positioned.

Applications of Palladium-Catalyzed C-N Cross-Coupling Reactions.

Science.gov (United States)

Ruiz-Castillo, Paula; Buchwald, Stephen L

2016-10-12

Pd-catalyzed cross-coupling reactions that form C-N bonds have become useful methods to synthesize anilines and aniline derivatives, an important class of compounds throughout chemical research. A key factor in the widespread adoption of these methods has been the continued development of reliable and versatile catalysts that function under operationally simple, user-friendly conditions. This review provides an overview of Pd-catalyzed N-arylation reactions found in both basic and applied chemical research from 2008 to the present. Selected examples of C-N cross-coupling reactions between nine classes of nitrogen-based coupling partners and (pseudo)aryl halides are described for the synthesis of heterocycles, medicinally relevant compounds, natural products, organic materials, and catalysts.

(p, p') and (p, n) reactions on halo nuclei

International Nuclear Information System (INIS)

Satou, Y; Nakamura, T; Fukuda, N; Sugimoto, T; Kondo, Y; Matsui, N; Hashimoto, Y; Nakabayashi, T; Okumura, T; Shinohara, M; Motobayashi, T; Yanagisawa, Y; Aoi, N; Takeuchi, S; Gomi, T; Togano, Y; Kawai, S; Sakurai, H; Ong, H J; Onishi, T K; Shimoura, S; Tamaki, M; Kobayashi, T; Otsu, H; Matsuda, Y; Endo, N; Kitayama, M; Ishihara, M

2006-01-01

We have measured the 1 H( 19 C, 18 C+n) 1 H and 1 H( 14 Be, 13 B+n)n reactions at 70 MeV/nucleon using the invariant mass method in inverse kinematics. A new state was identified at 1.49 MeV in 19 C. In the latter (p, n) reaction, a resonance peak corresponding to the 1.28 MeV state in 14 B recently reported in a beta-decay study was clearly observed. Forward peaked character in the differential cross section supports the 1 + assignment for this state