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Sample records for ammines

  1. Computational screening of mixed metal halide ammines

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich; Vegge, Tejs

    Metal halide ammines, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, can reversibly store ammonia, with high volumetric hydrogen storage capacities. The storage in the halide ammines is very safe, and the salts are therefore highly relevant as a carbon-free energy carrier in future transportation infrastructure....... In this project we are searching for improved mixed materials with optimal desorption temperatures and kinetics, optimally releasing all ammonia in one step. We apply Density Functional Theory, DFT, calculations on mixed compounds selected by a Genetic Algorithm (GA), relying on biological principles...

  2. Computational screening of mixed metal halide ammines

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich;

    of natural selection. The GA is evolving from an initial (random) population and selecting those with highest fitness, a function based on e.g. stability, release temperature and storage capacity. The search space includes all alkaline, alkaline earth, 3d and 4d metals and the four lightest halides......Metal halide ammines, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, can reversibly store ammonia, with high volumetric hydrogen storage capacities. The storage in the halide ammines is very safe, and the salts are therefore highly relevant as a carbon-free energy carrier in future transportation infrastructure...

  3. Computational Screening of Mixed Metal Halide Ammines

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich; Vegge, Tejs

    Metal halide ammines, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, can reversibly store ammonia, with high volumetric hydrogen storage capacities. In this project we are searching for improved mixed materials with optimal desorption temperature and kinetics. We apply DFT calculations on mixed compounds...

  4. Metal ammine complexes for hydrogen storage

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Sørensen, Rasmus Zink; Johannessen, Tue;

    2005-01-01

    The hopes of using hydrogen as an energy carrier are severely dampened by the fact that there is still no safe, high-density method available for storing hydrogen. We investigate the possibility of using metal ammine complexes as a solid form of hydrogen storage. Using Mg(NH3)(6)Cl-2 as the example......, we show that it can store 9.1% hydrogen by weight in the form of ammonia. The storage is completely reversible, and by combining it with an ammonia decomposition catalyst, hydrogen can be delivered at temperatures below 620 K....

  5. Computational Screening of Mixed Metal Halide Ammines

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich;

    Metal halide ammines, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, can reversibly store ammonia, with high volumetric hydrogen storage capacities. In this project we are searching for improved mixed materials with optimal desorption temperature and kinetics. We apply DFT calculations on mixed compounds...... selected by a Genetic Algorithm (GA), relying on biological principles of natural selection. The GA is evolving from an initial (random) population and selecting those with highest fitness, e.g. stability, release temperature and storage capacity. The search space includes all alkaline, alkaline earth, 3d...... and 4d metals and the four lightest halides, giving in total almost two million combinations....

  6. Ammonia dynamics in magnesium ammine from DFT and neutron scattering

    DEFF Research Database (Denmark)

    Tekin, Adem; Hummelshøj, Jens Strabo; Jacobsen, Hjalte Sylvest;

    2010-01-01

    Energy storage in the form of ammonia bound in metal salts, so-called metal ammines, combines high energy density with the possibility of fast and reversible NH3 ab- and desorption kinetics. The mechanisms and processes involved in the NH3 kinetics are investigated by density functional theory (D...

  7. Tailoring NO donors metallopharmaceuticals: ruthenium nitrosyl ammines and aliphatic tetraazamacrocycles.

    Science.gov (United States)

    Tfouni, E; Doro, F G; Figueiredo, L E; Pereira, J C M; Metzker, G; Franco, D W

    2010-01-01

    The discovery of the involvement of nitric oxide (NO) in several physiological and pathophysiological processes launched a spectacular increase in studies in areas such as chemistry, biochemistry, and pharmacology. As a consequence, the development of NO donors or scavengers for regulation of its concentration and bioavailability in vivo is required. In this sense, ruthenium nitrosyl ammines and aliphatic tetraazamacrocyles have attracted a lot of attention due to their unique chemical properties. These complexes are water soluble and stable in solution, not to mention that they can deliver NO when photochemically or chemically activated by the reduction of the coordinated nitrosonium (NO+). The tuning of the energies of the charge transfer bands, the redox potential, and the specific rate constants of NO liberation, in both solution and matrices, is desirable for the achievement of selective NO delivery to biological targets, hence making the ruthenium ammines and aliphatic tetraazamacrocyles a quite versatile platform for biological application purposes. These ruthenium nitrosyls have shown to be active in firing neurons in mouse hippocampus, performing redox reactions in mitochondria, acting in blood pressure control, exhibiting cytotoxic activities against trypanosomatids (T.cruzi and L.major) and tumor cells. This tailoring approach is explored here, being heavily supported by the accumulated knowledge on the chemistry and photochemistry of ruthenium complexes, which allows NO donors/scavengers systems to be custom made designed. PMID:20846113

  8. A study on synthetic method and material characteristics of magnesium ammine chloride as ammonia transport materials for solid SCR

    Energy Technology Data Exchange (ETDEWEB)

    Shin, Jong Kook; Yoon, Cheon Seog [Dept. of Mechanical Engineering, Hannam University, Daejeon (Korea, Republic of); Kim, Hong Suk [Engine Research Center, Korea Institute of Machinery and Materials, Daejeon (Korea, Republic of)

    2015-11-15

    Among various ammonium salts and metal ammine chlorides used as solid materials for the sources of ammonia with solid SCR for lean NOx reduction, magnesium ammine chloride was taken up for study in this paper because of its ease of handling and safety. Lab-scale synthetic method of magnesium ammine chloride were studied for different durations, temperatures, and pressures with proper ammonia gas charged, as a respect of ammonia gas adsorption rate(%). To understand material characteristics for lab-made magnesium ammine chloride, DA, IC, FT-IR, XRD and SDT analyses were performed using the published data available in literature. From the analytical results, the water content in the lab-made magnesium ammine chloride can be determined. A new test procedure for water removal was proposed, by which the adsorption rate of lab-made sample was found to be approximately 100%.

  9. Thermochromic transitions of some tetrachlorocuprates of protonated ammines determined by differential scanning calorimetry

    Science.gov (United States)

    Fernández, F.; Fernández, V.; Gutiérrez-Rios, M. a.T.; Sánchez, C.

    1990-11-01

    The enthalpies of the thermochromic phase transitions of the tetrachlorocuprates (II) of a group of protonated ammines (n-propyl (I), iso-propyl (II), n-butyl (III), iso-butyl (IV), octyl (V), lauryl-ammine (VI), pyridine (VII) and piperidine (VIII)) have been determined by DSC. The transition temperatures correlate with the colour change shown by the samples. It is concluded that these transitions are associated with a modification of the CuCl 42- structure to a more square-planar one in some of the compounds (I, II, III, IV, V, VI) and with a deformation to a more tetrahedral one in the other compounds (VII and VIII).

  10. Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Quaade, Ulrich J.;

    2014-01-01

    electrolyte membrane fuel cells (PEMFC). We use genetic algorithms (GAs) to search for materials containing up to three different metals (alkaline-earth, 3d and 4d) and two different halides (Cl, Br and I) – almost 27000 combinations, and have identified novel mixtures, with significantly improved storage......Metal halide ammines have great potential as a future, high-density energy carrier in vehicles. So far known materials, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, are not suitable for automotive, fuel cell applications, because the release of ammonia is a multi-step reaction, requiring too much heat to be...... supplied, making the total efficiency lower. Here, we apply density functional theory (DFT) calculations to predict new mixed metal halide ammines with improved storage capacities and the ability to release the stored ammonia in one step, at temperatures suitable for system integration with polymer...

  11. Indirect, reversible high-density hydrogen storage in compact metal ammine salts

    DEFF Research Database (Denmark)

    Sørensen, Rasmus Zink; Hummelshøj, Jens Strabo; Klerke, Asbjørn;

    2008-01-01

    structures develop, which facilitates desorption from the interior of large, compact tablets. Density functional theory calculations reproduce trends in desorption enthalpies for the systems studied, and a mechanism in which individual chains of the ammines are released from the surface of the crystal......The indirect hydrogen storage capabilities of Mg(NH3)(6)Cl-2, Ca(NH3)(6)Cl-2, Mn(NH3)(6)Cl-2, and Ni(NH3)(6)Cl-2 are investigated. All four metal ammine chlorides can be compacted to solid tablets with densities of at least 95% of the crystal density. This gives very high indirect hydrogen...... densities both gravimetrically and volumetrically. Upon heating, NH3 is released from the salts, and by employing an appropriate catalyst, H-2 can be released corresponding to up to 9.78 wt % H and 0.116 kg H/L for the Ca(NH3)(8)Cl-2 salt. The NH3 release from all four salts is investigated using...

  12. Study of some properties of the ruthenium (II) trans-tetra-ammines with nitrogened aromatic heterocyclic ligands

    International Nuclear Information System (INIS)

    The ruthenium (II) complexes trans [Ru(NH3)4 LL'] (BF4)2, where L and L' are 4-picoline, pyridine, isonicatinamide, pyrazine or 4-acetylpyridine are studied. The U.V-visible range spectra, bands in the U.V. and in the visible range is analysed. The spectra and the bands by comparison with other ruthenium (II) ammines are discussed, and a qualitative molecular orbital model is used. (M.J.C.)

  13. Improved Automotive NO (x) Aftertreatment System: Metal Ammine Complexes as NH3 Source for SCR Using Fe-Containing Zeolite Catalysts

    DEFF Research Database (Denmark)

    Johannessen, Tue; Schmidt, Henning; Frey, Anne Mette;

    2009-01-01

    Ammonia storage is a challenge in the selective catalytic reduction of NO (x) in vehicles. We propose a new system, based on metal ammines as the ammonia source. In combination with iron containing zeolites as the SCR catalyst it should be possible to obtain a low temperature system for NO (x...

  14. Variation of intrinsic magnetic parameters of single domain Co-N interstitial nitrides synthesized via hexa-ammine cobalt nitrate route

    International Nuclear Information System (INIS)

    Highlights: ► Variation of intrinsic magnetic parameters of Co-N. ► Synthesis by hexa-ammine cobalt complex route. ► Tuning of coercivity by variation of size. - Abstract: We report the variation of Curie temperature (Tc) and coercivity (Hc) of the single domain Co-N interstitial materials synthesized via nitridation of the hexa-ammine Cobalt(III) nitrate complex at 673 K. Co-N materials crystallize in the fcc cubic structure with unit cell parameter, a = 3.552 Å. The X-ray diffraction (XRD) peaks are broader indicating the materials to be nano-structured with crystallite sizes of 5–14 nm. The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) studies confirm the nanocrystalline nature of the materials. TEM images show chain-like clusters indicating dipolar interactions between the particles. Magnetic studies focus on the existence of giant magnetic Co atoms in the Co-N lattice that are not influenced by the thermal relaxation. The values of the Hc could be tuned with the dimension of the particles. The values of Tc of the nitride materials are masked by the onset of the ferromagnetic to superparamagnetic transition at higher temperatures. Thermomagnetic studies show an increasing trend in the Curie temperature, Tc, with decrease in particle dimension. This result has been explained qualitatively on the basis of ferromagnetic to superparamagnetic transition and finite size scaling effects.

  15. FeF3@Thin Nickel Ammine Nitrate Matrix: Smart Configurations and Applications as Superior Cathodes for Li-Ion Batteries.

    Science.gov (United States)

    Jiang, Jian; Li, Linpo; Xu, Maowen; Zhu, Jianhui; Li, Chang Ming

    2016-06-29

    Iron fluorides (FeFx) for Li-ion battery cathodes are still in the stage of intensive research due to their low delivery capacity and limited lifetime. One critical reason for cathode degradation is the severe aggregation of FeFx nanocrystals upon long-term cycling. To maximize the capacity and cyclability of these cathodes, we propose herein a novel and applicable method using a thin-layered nickel ammine nitrate (NAN) matrix as a feasible encapsulation material to disperse the FeF3 nanoparticles. Such core-shell hybrids with smart configurations are constructed via a green, scalable, in situ encapsulation approach. The outer thin-film NAN matrix with prominent electrochemical stability can keep the FeF3 nanoactives encapsulated throughout the cyclic testing, protecting them from adverse aggregation into bulk crystals and thus leading to drastic improvements of electrode behaviors (e.g., high electrode capacity up to ∼423 mA h g(-1), greatly prolonged cyclic period, and promoted rate capabilities). This present work may set up a new and general platform to develop intriguing core-shell hybrid cathodes for Li-ion batteries, not only for FeFx but also for a wide spectrum of other cathode materials. PMID:27269361

  16. High-Pressure Synthesis of Cd(NH₃)₂[B₃O₅(NH₃)]₂: Pioneering the Way to the Substance Class of Ammine Borates.

    Science.gov (United States)

    Sohr, Gerhard; Ciaghi, Nina; Schauperl, Michael; Wurst, Klaus; Liedl, Klaus R; Huppertz, Hubert

    2015-05-18

    To date, the access to the substance class of borates containing nitrogen, for example, nitridoborates, oxonitridoborates, or amine borates, was an extreme effort owing to the difficult starting materials and reaction conditions. Although a number of compounds containing boron and nitrogen are known, no adduct of ammonia to an inorganic borate has been observed so far. A new synthetic approach starting from the simple educts CdO, B2O3, and aqueous ammonia under conditions of 4.7 GPa and 800 °C led to the synthesis of Cd(NH3)2[B3O5(NH3)]2 as the first ammine borate. We thoroughly characterized this compound on the basis of low-temperature single-crystal and powder X-ray diffraction data, IR and Raman spectroscopy, and by quantum theoretical calculations. This contribution shows that the adduct of NH3 to the BO3 group of a complex B-O network can be stabilized, opening up a fundamentally new synthetic route to nitrogen-containing borates. PMID:25914316

  17. Ammonia Uptake and Release in the MnX2–NH3 (X = Cl, Br Systems and Structure of the Mn(NH3nX2 (n = 6, 2 Ammines

    Directory of Open Access Journals (Sweden)

    Duncan H. Gregory

    2012-04-01

    Full Text Available Hexa-ammine complexes, Mn(NH36X2 (X = Cl, Br, have been synthesized by ammoniation of the corresponding transition metal halide and characterized by Powder X-ray diffraction (PXRD and Raman spectroscopy. The hexa-ammine complexes are isostructural (Cubic, Fm-3m, Z = 4; a = 10.2742(6 Å and 10.527(1 Å for X = Cl, Br respectively. Temperature programmed desorption (TPD demonstrated that ammonia release from Mn(NH36X2 complexes occurred in three stages corresponding to the release of 4, 1 and 1 NH3 equivalents respectively. The chloride and bromide both exhibit a deammoniation onset temperature below 323 K. The di-ammoniates from the first desorption step were isolated during TPD measurements and their crystal structures determined by Rietveld refinement against PXRD data (X = Cl: orthorhombic Cmmm, a = 8.1991(9 Å, b = 8.2498(7 Å, c = 3.8212(4 Å, Z = 2; X = Br: orthorhombic Pbam, a = 6.0109(5 Å, b = 12.022(1 Å, c = 4.0230(2 Å, Z = 2.

  18. Organometallic cis-Dichlorido Ruthenium(II) Ammine Complexes

    OpenAIRE

    Betanzos-Lara, Soledad; Habtemariam, Abraha; Clarkson, Guy J.; Sadler, Peter J.

    2011-01-01

    Bifunctional neutral half-sandwich RuII complexes of the type [(η6-arene)Ru(NH3)Cl2] where arene is p-cym (1) or bip (2) were synthesised by the reaction of N,N-dimethylbenzylamine (dmba), NH4PF6 and the corresponding RuII arene dimer, and were fully characterised. X-ray crystallographic studies of [(η6-p-cym)Ru(NH3)Cl2]·{(dmba–H)(PF6)} (1a) and [(η6-bip)Ru(NH3)Cl2] (2) show extensive H-bond interactions in the solid state, mainly involving the NH3 and the Cl ligands, as well as weak aromatic...

  19. Organometallic cis-Dichlorido Ruthenium(II) Ammine Complexes.

    Science.gov (United States)

    Betanzos-Lara, Soledad; Habtemariam, Abraha; Clarkson, Guy J; Sadler, Peter J

    2011-07-01

    Bifunctional neutral half-sandwich Ru(II) complexes of the type [(η(6)-arene)Ru(NH3)Cl2] where arene is p-cym (1) or bip (2) were synthesised by the reaction of N,N-dimethylbenzylamine (dmba), NH4PF6 and the corresponding Ru(II) arene dimer, and were fully characterised. X-ray crystallographic studies of [(η(6)-p-cym)Ru(NH3)Cl2]·{(dmba-H)(PF6)} (1a) and [(η(6)-bip)Ru(NH3)Cl2] (2) show extensive H-bond interactions in the solid state, mainly involving the NH3 and the Cl ligands, as well as weak aromatic stacking interactions. The half-lives for the sequential hydrolysis of 1 and 2 determined by UV/Vis spectroscopy at 310 K ranged from a few minutes for the first aquation to ca. 45 min for the second aquation; the diaqua adducts were the predominant species at equilibrium. Arene loss during the aquation of complex 2 was observed. Upon hydrolysis, both complexes readily formed mono- and di-9-ethylguanine (9-EtG) adducts in aqueous solution at 310 K. The reaction reached equilibrium after ca. 1.8 h in the case of complex 1 and was slower but more complete for complex 2 (before the onset of arene loss at ca. 2.7 h). Complexes 1 and 2 were not cytotoxic towards A2780 human ovarian cancer cells up to the maximum concentration tested (100 μM). PMID:23956682

  20. Studio della formazione di ammine biogene e di altri composti azotati negli alimenti

    OpenAIRE

    Congiu, Francesca

    2014-01-01

    The aim of this thesis was the qualitative and quantitative determination of biogenic amines (BA) and amino acids (AA), in particular the essential AA, in different food matrices typical of Sardinia (Italy). The study was focused on wines and table olives, which are potential source of biogenic amines due to their fermentation processes involved in their production. The decision to follow this research field is based on the importance of having updated information to assess the actual r...

  1. Simultaneous neutron diffraction and microwave dielectric characterisation of ammine materials - a non-destructive, non-contact characterisation tool for determining ammonia content in solids.

    Science.gov (United States)

    Jones, Martin Owen; Hartley, Jon; Porch, Adrian

    2016-08-17

    We have investigated ammonia adsorption in group two halides (MgI2 and CaBr2) using custom-built apparatus that permits simultaneous neutron diffraction, microwave dielectric characterisation and out-gas mass spectroscopy of solid state materials during ammonia adsorption. Deuterated ammonia was flowed over the sample and the uptake - as measured by mass flow meters, mass spectroscopy and structure - compared with the change in dielectric constant. An excellent correlation between ammonia content and dielectric property was observed and, when linked to diffraction, mass flow and mass spectroscopy data, could be used to determine the amount of ammonia present within the solid. The combination of these techniques could also be used to differentiate physisorbed and metal-coordinated ammonia and explain subtleties in the observed structural transformations. PMID:27498837

  2. Regularities in the influence of aqueous-organic solvents on thermodynamics of complexing reactions. Communication 2. Enthalpy and entropy changes upon the formation of ammine and carboxylate complexes

    International Nuclear Information System (INIS)

    On the basis of results of previously conducted thermochemical studies the dynamics of enthalpy and entropy contributions into displacement of equilibria of d-metal ions complexing in aqueous-organic solvents was considered. It is shown that increase in stability of cadmium(2) ethylenediamine complexes in aqueous solutions of ethanol at all stages of coordination occurs largely due to the entropy contribution. Insignificant value of the enthalpy contribution during formation of cadmium monoligand complex stems from the fact that differences in the enthalpy characteristics of the central ion and complex solvation in the solutions are approximately equal to the change in ligand transfer enthalpy, taken with the opposite sign

  3. Non-innocent electrolyte effects on bimolecular pseudo-self-exchange reactions of ruthenium ammine complexes: Evidence for electron-transfer catalysis in H-bonded ternary assemblies

    International Nuclear Information System (INIS)

    The kinetics of bimolecular pseudo-self-exchange reactions such as that between pentaammine(pyridine)ruthenium(II) and pentaammine(3-fluoropyridine)ruthenium(III) shown below,(NH3)5RuII(py)2++(NH3)5RuIII(3-Fpy)3+-bar kex(NH3)5RuIII(py)3++(NH3)5RuII(3-Fpy)2+reveal a novel form of non-covalently mediated electron transfer over distance when salts of non-innocent electrolytes such as the conjugated dicarboxylic acid anions trans,trans-muconate2- or terephthalate2- are added to the solution. The kinetic accelerations are distinct from those seen with simple electrolytes such as KCl or CaCl2, and are thus outside the realm of classical electrolyte effects described by the Debye-Huckel theory of ion atmospheres. Kinetic simulations are presented, and the rate acceleration is interpreted in the context of possible superexchange-type interactions taking place in hydrogen-bonded ternary (or higher) association complexes which create new kinetic pathways for electron transfer over distance in aqueous solution

  4. Visualization of Metal-to-Ligand and Ligand-to-Ligand Charge Transfer in Metal-Ligand Complexes

    Institute of Scientific and Technical Information of China (English)

    Yong Ding; Jian-xiu Guo; Xiang-si Wang; Sha-sha Liu; Feng-cai Ma

    2009-01-01

    Three methods including the atomic resolved density of state, charge difference density, and the transition density matrix are used to visualize metal to ligand charge transfer (MLCT) in ruthenium(Ⅱ) ammine complex. The atomic resolved density of state shows that there is density of Ru on the HOMOs. All the density is localized on the ammine, which reveals that the excited electrons in the Ru complex are delocalized over the ammine ligand. The charge difference density shows that all the holes are localized on the Ru and the electrons on the ammine. The localization explains the MLCT on excitation. The transition density matrix shows that there is electron-hole coherence between Ru and ammine. These methods are also used to examine the MLCT in Os(bpy)(p0p)Cl ("Osp0p"; bpy=2,2'-bipyridyl; p0p=4,4'-bipyridyl) and the ligand-to-ligand charge transfer (LLCT) in Alq3. The calculated results show that these methods are powerful to examine MLCT and LLCT in the metal-ligand system.

  5. Ammonia/Hydrogen Mixtures in an SI-Engine

    DEFF Research Database (Denmark)

    Mørch, Christian Sandersen; Bjerre, Andreas; Gøttrup, Morten Piil;

    2011-01-01

    In recent years there has been increasing focus on using metal ammine complexes for ammonia storage. In this paper a fuel system for ammonia fuelled internal combustion engines using metal ammine complexes as ammonia storage is analyzed. The use of ammonia/hydrogen mixtures as an SI-engine fuel is...... investigated in the same context. Ammonia and hydrogen were introduced into the intake manifold of a CFR-engine. Series of experiments with varying excess air ratio and different ammonia to hydrogen ratios was conducted. This showed that a fuel mixture with 10 vol.% hydrogen performs best with respect to...

  6. Computational Search for Improved Ammonia Storage Materials

    DEFF Research Database (Denmark)

    Jensen, Peter Bjerre; Lysgaard, Steen; Vegge, Tejs;

    of natural selection. The GA is evolving from an initial (random) population and selecting those with highest fitness, a function based on e.g. stability, release temperature, storage capacity and the price of the elements. The search space includes all alkaline earth, 3d and 4d metals in combination......Metal halide ammines, e.g. Mg(NH3)6Cl2 and Sr(NH3)8Cl2, can reversibly store ammonia, with high volumetric hydrogen storage capacities. The storage in the halide ammines is very safe, and the salts are therefore highly relevant as a carbon-free energy carrier in future transportation infrastructure...

  7. Computational analysis of gas-solid interactions in materials for energy storage and conversion

    DEFF Research Database (Denmark)

    Lysgaard, Steen

    storage capacity combined with fast kinetics. We have determined the thermodynamically stable phases of strontium chloride ammines, including the diammine phase, Sr(NH3)2Cl2, that depending on temperature and pressure has a slightly higher or lower stability than the monoammine, explaining why the...

  8. Ir Spectroscopy and Nickel (II) Hexammines

    Science.gov (United States)

    Reedijk, J.; And Others

    1975-01-01

    Describes an experiment, for the general chemistry laboratory, intended to introduce the student to infrared spectroscopy. After being introduced to the theory of molecular vibrations on an elementary level, each student receives a list of 5-7 nickel (II) ammines to be prepared, analyzed and characterized by infrared spectoscopy. (MLH)

  9. Vibrational study of magnesium complexes and porphyrins

    International Nuclear Information System (INIS)

    In the course of chlorophyll investigations by vibrational spectroscopy, the magnesium complex Mg(NH3)6Cl2 was studied by infrared and Raman techniques and two porphyrin molecules, by resonance Raman scattering. For the hexa-ammine magnesium chloride, all vibrations predicted by group theory (internal and external vibrations) were observed; ligand orientations gives- the complex ion a D3d point group symmetry. Five isotopically substituted compounds were studied and a force constant calculation showed that the Mg-N bond has a value higher than most of those calculated for other divalent hexa-ammine metal ions. Two porphyrins were studied: the prophine and the meso-porphyrin IX dimethyl-ester.' Unexpected variations of vibrational bands intensities and depolarization ratios were recorded on changing the excitation wavelength. Three resonance levels were tentatively attributed to the presence of pure electronic transitions in band IV of the absorption spectra of these compounds. (author)

  10. Computational investigation and design of coordination compounds for hydrogen storage

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo

    Two classes of high capacity hydrogen storage materials, the metal tetrahydroborates and the metal ammines, were investigated at the atomic scale using density functional theory simulations. It was shown that simple model structures could be used to asses the stabilities of complex systems. Trends...... in stabilities were reproduced for known systems and the correlations were used to predict the stabilities of unknown systems. Of these, 20 tetrahydroborate systems formed stable mixtures with promising stabilities. A few mixed metal ammine systems showed promising decomposition energies but their...... shown that doping lithium tetrahydroborate with iodine stabilizes the high temperature phase, in agreement with experiment. Finally, examples on how systematic structural studies of metal halides and hydrides can aid the design of new materials were given....

  11. A New Chemical Method of Preparing Semiconducting MoX2 (X=S, Se) Thin Films

    Science.gov (United States)

    Mandal, Krishna Chandra; Savadogo, Oumarou

    1991-12-01

    We report a new chemical method for preparing semiconducting MoX2 (X=S, Se) thin films on glass substrates. For MoS2 deposition, an ammine complex of Mo (VI) ions, thioacetamide and hydrazine hydrate solutions was used, while for MoSe2 films, sodium selenosulphate solution replaced thioacetamide, and other reagents remained unchanged. Structural, optical and electrical properties of the as-deposited and annealed films have been studied.

  12. Studies on the interaction of benzotriazole (a corrosion inibitor) with the ruthenium (II) (III) ammincomplexes and pentacyanoferrate (II)

    International Nuclear Information System (INIS)

    Some studies on the interaction of benzotriazole with the aquapentacyanoferrate (II), aquapentaamminruthenium (II) and cis-and trans-(NH3)4 Ru(H2O)22+ complexes are described. The reactions, substituted products and complexes production are demonstrated. The absorption bands for the ammine (benzotriazole) and ruthenium (II) complexes as well as the activation parameters and kinetics of reactions are discussed. (M.J.C.)

  13. Handheld hydrogen - a new concept for hydrogen storage

    DEFF Research Database (Denmark)

    Johannessen, Tue; Sørensen, Rasmus Zink

    2005-01-01

    A method of hydrogen storage using metal ammine complexes in combination with an ammonia decomposition catalyst is presented. This dense hydrogen storage material has high degree of safety compared to all the other available alternatives. This technology reduces the safety hazards of using liquid...... ammonia and benefits from the properties of ammonia as a fuel. The system can be used as a safe, reversible, low-cost hydrogen carrier....

  14. Solid solution barium–strontium chlorides with tunable ammonia desorption properties and superior storage capacity

    DEFF Research Database (Denmark)

    Bialy, Agata; Jensen, Peter Bjerre; Blanchard, Didier;

    2015-01-01

    Metal halide ammines are very attractive materials for ammonia absorption and storage—applications where the practically accessible or usable gravimetric and volumetric storage densities are of critical importance. Here we present, that by combining advanced computational materials prediction with...... with different ammonia ab- and desorption properties. In particular it is shown, that in the molar range of 35–50% barium and 65–50% strontium, stable materials can be produced with a practically usable ammonia density (both volumetric and gravimetric) that is higher than any of the pure metal halides...

  15. Growth and characterization of films of perovskite based organic-inorganic hybrid materials for electronics

    OpenAIRE

    Chiarella, Fabio

    2006-01-01

    [ITALIANO] In questo lavoro di tesi l’attenzione è stata rivolta allo studio di composti ibridi self-assembled per l’elettronica. Il primo passo è stato la sintesi (dove è stato possibile) e la classificazione strutturale delle polveri policristalline dei composti in esame ovvero alogenuri di metalli (Cu, Sn) intercalati con ammine semplici (formula chimica (CnH2n+1NH3)2CuCl4 e CH3NH3SnX3 con X=Cl, Br, I). In particolare i composti CH3NH3SnX3 risultano avere una struttura cubica mentre quelli...

  16. Insights into the Acid–Base Properties of PtIV–Diazidodiam(m)inedihyroxido Complexes from Multinuclear NMR Spectroscopy

    OpenAIRE

    Ronconi, Luca; Pizarro, Ana M; McQuitty, Ruth J; Sadler, Peter J.

    2011-01-01

    Platinum(IV) am(m)ine complexes are of interest as potential anticancer pro-drugs, but there are few reports of their acid–base properties. We have studied the acid–base properties of three photoactivatable anticancer platinum(IV)-diazidodiam(m)ine complexes (cis,trans,cis-[PtIV(N3)2(OH)2(NH3)2], trans,trans,trans-[PtIV(N3)2(OH)2(NH3)2], and cis,trans-[PtIV(N3)2(OH)2(en)]) using multinuclear NMR methods and potentiometry. In particular, the combination of both direct and indirect techniques f...

  17. SiO2-coatings on glass containing copper colloids using the sol-gel-technique

    OpenAIRE

    Mennig, Martin; Schmitt, Mike; Kutsch, Bernd; Schmidt, Helmut K.

    1994-01-01

    A sol-gel method for the preparation of transparent copper nano particle-containing SiO2 coatings on glass has been developed. The sol is synthesised from alkoxysilanes and tetra ethyl orthosilicate with copper ammine complexes, prepared from Cu²+ salts and amino alkoxy silames. Glass substrates are coated by dipping and layers up to 1 µm in thickness are obtained after thermal densification at temperatures between 200°-500°C. The Cu colloid formation can be achieved using a reducing atmosphe...

  18. Crystal structure of Ag2(μ-SCN)2(NH3)4

    OpenAIRE

    Müller, Thomas G.; Florian Kraus

    2016-01-01

    Di-μ-thiocyanato-bis[diamminesilver(I)], [Ag2(μ-SCN)2(NH3)4], was synthesized by the reaction of AgSCN with anhydrous liquid ammonia. In the binuclear molecule, the AgI atom is coordinated by two ammine ligands and the S atom of one thiocyanate ligand. Two of these [Ag(SCN)(NH3)2] units are bridged by the S atoms of the thiocyanate anions at longer distances, leading to a dimer with point group symmetry C2. The distance between the AgI atoms in the dimer is at 3.0927 (6) Å within the range of...

  19. Modification of Silica Rice Husk Ash to Solid Ammonium Sulphate for Second Generation Biofuels Productions

    OpenAIRE

    2014-01-01

    A new approach has been demonstrated for the synthesis of solid ammonium sulphate attached to silica rice husk ash. The 3-(aminopropyl)triethoxysilane was immobilized onto silica at room temperature to functionalize the silica with ammine end groups (–NH2). The amine group was sulphated with sulphuric acid to produce a novel micro-rod-like shaped acidic catalyst (as seen with TEM) designated RHNH3SO4H (RH = rice husk). The TGA analysis shows that the catalyst is stable at temperatures below 2...

  20. Reactions of Cisplatin Hydrolytes with Thiols. 3: Reactions of cis-[Pt(15NH32(H2O2]2+ with Glutathione

    Directory of Open Access Journals (Sweden)

    Sutopo Hadi

    2006-04-01

    Full Text Available The reaction of cis-[Pt(15NH32(H2O2]2+ (3 with glutathione (GSH was investigated in aqueous solution. In this reaction, the ammine in the platinum complex formed was liberated. Surprisingly two chelate rings were observed, six-membered-S,O-chelate ring complex cis-[Pt(15NH32(SG-S,O (7 and five-membered-S,N-chelate ring complex cis-[Pt(15NH32(SG-S,N] (8. The bis (thiolate platinum(II complex, cis-[Pt(15NH32(SG2] (9 was always present in this reaction in any mole ratio used. The dinuclear sulphur-bridged complex (10, giving a broad peak in 15N NMR, was only present in very tiny amounts.

  1. Evaluation of radiolabeled ruthenium compounds as tumor-localizing agents

    International Nuclear Information System (INIS)

    This work introduces a new class of radiopharmaceuticals based on ruthenium-97. The excellent physical properties of Ru-97, the high chemical reactivity of Ru, the potential antitumor activity of several Ru coordination compounds, and BLIP production of Ru-97, provide a unique combination for the application of this isotope in nuclear oncology. A systematic study was undertaken on the synthesis, characterization, and evaluation of a number of ruthenium-labeled compounds. In a variety of animal tumor models, several compounds show considerable promise as tumor-localizing agents when compared to gallium-67 citrate. The compounds studied (with Ru in different oxidation states) include ionic Ru, a number of hydrophilic and lipophilic chelates, and various ammine derivatives

  2. Near-infrared emitting CdTe0.5Se0.5/Cd0.5Zn0.5S quantum dots: synthesis and bright luminescence

    OpenAIRE

    Yang, Ping; Wang, Shiquan; Murase, Norio

    2012-01-01

    We present how CdTe0.5Se0.5 cores can be coated with Cd0.5Zn0.5S shells at relatively low temperature (around 200°C) via facile synthesis using organic ammine ligands. The cores were firstly fabricated via a less toxic procedure using CdO, trioctylphosphine (TOP), Se, Te, and trioctylamine. The cores with small sizes (3.2-3.5 nm) revealed green and yellow photoluminescence (PL) and spherical morphologies. Hydrophobic core/shell CdTe0.5Se0.5/Cd0.5Zn0.5S quantum dots (QDs) with tunable PL betwe...

  3. Electrodialytic soil remediation in a small pilot plant (Part II)

    DEFF Research Database (Denmark)

    Karlsmose, Bodil; Hansen, Lene

    1999-01-01

    should be. Two other groups of copper-containing particles were found in the soil by EDX. One group was a mineral also containing magnesium, aluminium, silicon, potassium, calcium and iron. This was probably a copper and iron-containing clay mineral, and the other group had a high content of calcium......Observations were made of copper-polluted soil to see, if any changes in the bonding type of copper in the soil were made during electrodialytic soil remediation. Three different fractions of the copper-polluted soil were used for investigation with infrared spectroscopy (IR), X-ray diffraction...... (XRD), transmission electron microscope (TEM) and observations with scanning electron microscope (SEM), the last two combined with an EDX analysis unit. The three soil fractions were extracted with am-monia for observa-tion of the copper removal when copper forms copper-tetra-ammine complexes with am...

  4. Crystal structure of [Co(NH36][Co(CO4]2

    Directory of Open Access Journals (Sweden)

    Thomas G. Müller

    2015-11-01

    Full Text Available Hexaamminecobalt(II bis[tetracarbonylcobaltate(-I], [Co(NH36][Co(CO4]2, was synthesized by reaction of liquid ammonia with Co2(CO8. The CoII atom is coordinated by six ammine ligands. The resulting polyhedron, the hexaamminecobalt(II cation, exhibits point group symmetry -3. The Co-I atom is coordinated by four carbonyl ligands, leading to a tetracarbonylcobaltate(−I anion in the shape of a slightly distorted tetrahedron, with point group symmetry 3. The crystal structure is related to that of high-pressure BaC2 (space group R-3m, with the [Co(NH36]2+ cations replacing the Ba sites and the [Co(CO4]− anions replacing the C sites. N—H...O hydrogen bonds between cations and anions stabilize the structural set-up in the title compound.

  5. Electroless deposition and characterization of Pd thin films on hydrogenated amorphous silicon

    International Nuclear Information System (INIS)

    This paper reports on electroless palladium thin films deposited on hydrogenated amorphous Si from a palladium-ammine bath. The d.c. magnetron reactive sputtered 18% hydrogenated amorphous silicon (a-Si:H) possessed a hydrogen passivated surface, using an activation step prior to the electroless deposition to obtain a film with good uniformity. The specially prepared hypophosphite-based dilute metal ion bath exhibited good stability as low operating temperatures of 35--50 degrees C. The morphology and microstructure of the Pd aggregates were characterized by scanning transmission electron microscopy (STEM) and energy dispersive x-ray spectroscopy (EDX), while the Pd aggregates and as-deposited films from the citrate and NH3/NH4Cl baths were examined by scanning electron microscopy (SEM). Marked differences in morphology and distribution of the Pd aggregates on activated a-Si:H and c-Si substrates were observed and discussed

  6. Modification of Silica Rice Husk Ash to Solid Ammonium Sulphate for Second Generation Biofuels Productions

    Directory of Open Access Journals (Sweden)

    Kasim Mohammed Hello

    2014-01-01

    Full Text Available A new approach has been demonstrated for the synthesis of solid ammonium sulphate attached to silica rice husk ash. The 3-(aminopropyltriethoxysilane was immobilized onto silica at room temperature to functionalize the silica with ammine end groups (–NH2. The amine group was sulphated with sulphuric acid to produce a novel micro-rod-like shaped acidic catalyst (as seen with TEM designated RHNH3SO4H (RH = rice husk. The TGA analysis shows that the catalyst is stable at temperatures below 200°C. The acidity measurement of the catalyst indicates that it has Brønsted acid sites. Cellulose extracted from waste of rice husk and cellulose extracted from office paper were hydrolysed to glucose in 6 h, and the glucose was hydrolysed afterwards to other products within 13 h. The catalyst is reusable many times without a significant loss of catalytic activity.

  7. Towards an ammonia-mediated hydrogen economy?

    DEFF Research Database (Denmark)

    Christensen, Claus H.; Johannessen, Tue; Sørensen, Rasmus Zink;

    2006-01-01

    Materialization of a hydrogen economy could provide a solution to significant global challenges, In particular. the possibility of improving the efficiency and simultaneously minimizing the environmental impact of energy conversion processes, together with the opportunity to reduce the dependency...... of fossil fuels, are main drivers for the currently increasing research and development efforts. However. significant technological breakthroughs are necessary for making a hydrogen economy feasible. In particular, it is necessary to develop appropriate hydrogen storage and transportation technologies....... Recently, metal ammine salts were proposed as safe, reversible. high-density and low-cost hydrogen carriers. Here, we discuss how this development could provide a platform for using ammonia as a fuel for the hydrogen economy, We do that by comparing various possible hydrogen carriers with respect to energy...

  8. Crystal structure of trans-diammine(1,4,8,11-tetraazacyclotetradecane-κ4Nchromium(III tetrachloridozincate chloride monohydrate from synchrotron data

    Directory of Open Access Journals (Sweden)

    Dohyun Moon

    2016-04-01

    Full Text Available The asymmetric unit of the title complex salt, [Cr(C10H24N4(NH32][ZnCl4]Cl·H2O, is comprised of four halves of the CrIII complex cations (the counterparts being generated by application of inversion symmetry, two tetrachloridozincate anions, two chloride anions and two water molecules. Each CrIII ion is coordinated by the four N atoms of the cyclam (1,4,8,11-tetraazacyclotetradecane ligand in the equatorial plane and by two N atoms of ammine ligands in axial positions, displaying an overall distorted octahedral coordination environment. The Cr—N(cyclam bond lengths range from 2.0501 (15 to 2.0615 (15 Å, while the Cr—(NH3 bond lengths range from 2.0976 (13 to 2.1062 (13 Å. The macrocyclic cyclam moieties adopt the trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The [ZnCl4]2− anions have a slightly distorted tetrahedral shape. In the crystal, the Cl− anions link the complex cations, as well as the solvent water molecules, through N—H...Cl and O—H...Cl hydrogen-bonding interactions. The supramolecular set-up also includes N—H...Cl, C—H...Cl, N—H...O and O—H...Cl hydrogen bonding between N—H or C—H groups of cyclam, ammine N—H and water O—H donor groups, and O atoms of the water molecules, Cl− anions or Cl atoms of the [ZnCl4]2− anions as acceptors, leading to a three-dimensional network structure.

  9. A study of the effect of ammonia gas on the solid mono- and dinuclear oxorhenium(V complexes

    Directory of Open Access Journals (Sweden)

    M. M. MASHALY

    1999-09-01

    Full Text Available The reaction of ammonia gas with the solid oxorhenium(V complexes [Re2 O3L2Cl4]·2H2O, [Re2O2L3Cl6]·2H2O, [ReOLCl(OH23]Cl2, [ReOL2(OH23]CCl3, [ReOLCl3(OH2], [ReOL(SCN2Cl(OH2]·H2O and [ReOL(SCNCl2(OH2] (where L = 2-benzimadazolethione, yielded the corresponding ammine and/or amine complexes, [Re2O3L2(NH32(NH22]Cl2 (I, [Re2O2L3(NH32(NH24]Cl2 (II, [Re2O3L2(NH32 (NH24]·H2O (III, [Re2O3L4(NH24] (IV, [Re2O3L2(NH32(NH24C (V, [Re2O3L2(SCN4(NH32] (VI and [Re2O3L2(Thio2(NH24] (VII, respectively, (Thio = thiourea where ammonia gas has replaced other ligands such as chlorine and water. In complex VII thiourea replaced the thiocyanate group in the start complex through its reaction with ammonia gas. The obtained ammine and/or amine of rhenium(V complexes have been observed to decompose through several isolatable, as well as non-isolatable complex species as intermediates during heating. [Re2O3L4], [Re2O3L2(NH24] and [Re2O3L2(SCN4], were synthesized pyrolytically in the solid state from the corresponding parent oxorhenium complexes. The electronic absorption spectra and magnetic moments of the complexes show that the Re(V cation has an octahedral configuration. IR,1H-NMR spectroscopy, conductivity measurements and thermal analysies show that ammonia and thiourea behave as neutral monodentate ligands, SCN- and NH2- as monodentate monoanionic ligands, the organic ligand (L as a neutral monodentate or bidentate ligand towards the metal cation.

  10. 稀有金属表面电镀铂研究现状%Current Status of Electroplating Pt on the Surface of Rare Metals

    Institute of Scientific and Technical Information of China (English)

    杜继红; 李晴宇

    2014-01-01

    Platinum coatings are prepared by electroplating platinum on the surface of rare metals. Both alkaline baths and acid baths are employed as the solution system, and main salts include different water-soluble platinum complexes of ammine, hydroxide, chloride and sulfate. The platinum coatings so obtained on rare metals are applied to water disposal, chemical technology, metallurgy, electronic technology, etc.%采用电镀的方法在稀有金属钛、钽、铌、钼表面制备铂涂层。镀铂体系主要有碱性和酸性溶液,镀液主化合物是P盐、羟基络合物、氨(胺)络合物、氯络合物、硫酸盐等。稀有金属镀铂电极主要应用于水处理、化工、冶金、电子行业等领域。

  11. Ammonia-modified Co(II) sites in zeolites: IR spectroscopy and spin-resolved charge transfer analysis of NO adsorption complexes.

    Science.gov (United States)

    Góra-Marek, Kinga; Stępniewski, Adam; Radoń, Mariusz; Broclawik, Ewa

    2014-11-21

    IR spectroscopic studies and quantum chemical modeling (aided by the analysis of charge transfer processes between co-adsorbed ammonia and the Co(II)-NO adduct) evidence that donor ammonia molecules, ligated to extraframework Co(2+) centers in zeolites, vitally affect the strength of the N-O bond. Calculations indicate that versatility of ammine nitrosyl complexes, differing in the number of NH3 ligands as well as in the geometry and electronic structure of the Co-N-O unit (showing variable activation of NO) may co-exist in zeolite frameworks. However, only combined analysis of experimental and calculation results points to the adducts with three or five NH3 coligands as decisive. The novel finding concerning the interpretation of discussed IR spectra is the assignment of the most down-shifted bands at 1600-1615 cm(-1) to the N-O stretch in the singlet [Co(NH3)3(NO)](2+) adduct, in place of tentative ascription to pentaammine adducts. Theory indicates also that the Co(ii) center (with manifold of close-lying electronic and spin states) acts as a tunable electron donor where the spin state may open or close specific channels transferring electron density from the donor ligands (treated as the part of environment) to the NO molecule. PMID:25245279

  12. Ab initio studies of transition metal complexes and related electron transfer properties

    International Nuclear Information System (INIS)

    Ab initio electronic structure calculations have been carried out for various aquo and ammine complexes of Fe, Co, and Ru in their 2+ and 3+ oxidation states. The results of these calculations are used as assessing a variety of factors controlling electron transfer kinetics including the charge-state dependence of various inner shell geometrical parameters and associated vibrational frequencies (metal-ligand and intra-ligand and intra-ligand stretching modes, and librational modes), and the dependence of electron transfer matrix elements on the nature of the ligand and the metal orbital type (/sup t/2/sub g/ vs. e/sub g/). The charge-state dependence of the OH bond lengths in hexa-aquo ions is predicted to yield H/D isotope effects (i.e., fractionation between bulk and first shell water), which should be detectable by neutron scattering experiments on appropriate aqueous solutions. The relationship between these thermodynamic isotope effects, which depend critically on strong OH triple bond O hydrogen bonding between first and second-shell water molecules, and kinetic H/D isotope effects in electron exchange involving hexa-aquo ions will be discussed

  13. Polyvinyl alcohol electrospun nanofibers containing Ag nanoparticles used as sensors for the detection of biogenic amines

    Science.gov (United States)

    Marega, Carla; Maculan, Jenny; Rizzi, Gian Andrea; Saini, Roberta; Cavaliere, Emanuele; Gavioli, Luca; Cattelan, Mattia; Giallongo, Giuseppe; Marigo, Antonio; Granozzi, Gaetano

    2015-02-01

    Polyvinyl alcohol (PVA) electrospun nanofibers containing Ag nanoparticles (NPs) have been deposited on glass substrates. The aim of the work was to test the feasibility of this approach for the detection of biogenic amines by using either the Ag localized surface plasmon resonance quenching caused by the adsorption of amines on Ag NPs or by detecting the amines by surface enhanced Raman spectroscopy (SERS) after adsorption, from the gas phase, on the metal NPs. Two different approaches have been adopted. In the first one an ethanol/water solution containing AgNO3 was used directly in the electrospinning apparatus. In this way, a simple heat treatment of the nanofibers mat was sufficient to obtain the formation of Ag NPs inside the nanofibers and a partial cross-link of PVA. In the second procedure, the Ag NPs were deposited on PVA nanofibers by using the supersonic cluster beam deposition method, so that a beam of pure Ag NPs of controlled size was obtained. Exposure of the PVA mat to the beam produced a uniform distribution of the NPs on the nanofibers surface. Ethylendiamine vapors and volatile amines released from fresh shrimp meat were chemisorbed on the nanofibers mats. A SERS spectrum characterized by a diagnostic Ag-N stretching vibration at 230 cm-1 was obtained. The results allow to compare the two different approaches in the detection of ammines.

  14. Polyvinyl alcohol electrospun nanofibers containing Ag nanoparticles used as sensors for the detection of biogenic amines

    International Nuclear Information System (INIS)

    Polyvinyl alcohol (PVA) electrospun nanofibers containing Ag nanoparticles (NPs) have been deposited on glass substrates. The aim of the work was to test the feasibility of this approach for the detection of biogenic amines by using either the Ag localized surface plasmon resonance quenching caused by the adsorption of amines on Ag NPs or by detecting the amines by surface enhanced Raman spectroscopy (SERS) after adsorption, from the gas phase, on the metal NPs. Two different approaches have been adopted. In the first one an ethanol/water solution containing AgNO3 was used directly in the electrospinning apparatus. In this way, a simple heat treatment of the nanofibers mat was sufficient to obtain the formation of Ag NPs inside the nanofibers and a partial cross-link of PVA. In the second procedure, the Ag NPs were deposited on PVA nanofibers by using the supersonic cluster beam deposition method, so that a beam of pure Ag NPs of controlled size was obtained. Exposure of the PVA mat to the beam produced a uniform distribution of the NPs on the nanofibers surface. Ethylendiamine vapors and volatile amines released from fresh shrimp meat were chemisorbed on the nanofibers mats. A SERS spectrum characterized by a diagnostic Ag–N stretching vibration at 230 cm−1 was obtained. The results allow to compare the two different approaches in the detection of ammines. (paper)

  15. A multifaceted approach to hydrogen storage.

    Science.gov (United States)

    Churchard, Andrew J; Banach, Ewa; Borgschulte, Andreas; Caputo, Riccarda; Chen, Jian-Cheng; Clary, David; Fijalkowski, Karol J; Geerlings, Hans; Genova, Radostina V; Grochala, Wojciech; Jaroń, Tomasz; Juanes-Marcos, Juan Carlos; Kasemo, Bengt; Kroes, Geert-Jan; Ljubić, Ivan; Naujoks, Nicola; Nørskov, Jens K; Olsen, Roar A; Pendolino, Flavio; Remhof, Arndt; Románszki, Loránd; Tekin, Adem; Vegge, Tejs; Zäch, Michael; Züttel, Andreas

    2011-10-14

    The widespread adoption of hydrogen as an energy carrier could bring significant benefits, but only if a number of currently intractable problems can be overcome. Not the least of these is the problem of storage, particularly when aimed at use onboard light-vehicles. The aim of this overview is to look in depth at a number of areas linked by the recently concluded HYDROGEN research network, representing an intentionally multi-faceted selection with the goal of advancing the field on a number of fronts simultaneously. For the general reader we provide a concise outline of the main approaches to storing hydrogen before moving on to detailed reviews of recent research in the solid chemical storage of hydrogen, and so provide an entry point for the interested reader on these diverse topics. The subjects covered include: the mechanisms of Ti catalysis in alanates; the kinetics of the borohydrides and the resulting limitations; novel transition metal catalysts for use with complex hydrides; less common borohydrides; protic-hydridic stores; metal ammines and novel approaches to nano-confined metal hydrides. PMID:21887432

  16. Case study of the failure of supercritical water oxidation reactor tubing during the treatment of 2,4 DNP with ammonium sulphate

    International Nuclear Information System (INIS)

    During the process of Supercritical Water Oxidation (SCWO) organic chemical streams are oxidized at high temperature and pressure, typically in excess of 647 K and 22.1 MPa. Due to high operating temperatures and pressures severely corrosive environments often ensue and eventually lead to SCWO reactor tube failures. This case study looked at one such failure of Alloy 625 (61Ni-21.5Cr-9Mo) tubing which occurred at the UBC/NORAM SCWO pilot plant while treating a feed of waste water containing 2.4 wt% 2,4 dinitrophenolate, 2% ammonium sulphate and 6% excess ammonia. Although the feed pH was approximately 9 and therefore not expected to be corrosive, in fact the tube failed when exposed to this feed (with oxygen) for a period of about 1 hour at 650-655 K. Through the examination of the ensuing thermodynamic system as well as SEM and Optical Microscope analysis of the ruptured portions of tubing, it was found that the addition of ammonium sulphate to the treated media caused rapid failure due to de-alloying. Findings show that the high sub-critical temperature and high density of the feed water at failure points, as well as the corrosion morphology are consistent with attack by ammonia. The formation of a stable soluble nickel-ammine phase is suspected. (author)

  17. Recyclable epoxy resins: An example of green approach for advanced composite applications

    Science.gov (United States)

    Cicala, Gianluca; Rosa, Daniela La; Musarra, Marco; Saccullo, Giuseppe; Banatao, Rey; Pastine, Stefan

    2016-05-01

    Automotive composite applications are increasingly growing due to demand for lightweight structures to comply to the requirements for fuel reduction. HP-RTM is gaining relevance as one of the preferred production technologies for high volume applications. The BMW i3 life module being a notable example of HP-RTM application. The key aspects of HP-RTM are the short injection times (i.e. less than 1min) and the fast curing of the thermoset resins (i.e. less than 10min). The choice of using thermosets poses relevant issues for their limited recycling options. The standard recycling solution is the incineration but, this solution poses some concerns in terms of global environmental impact. Novel solutions are presented in this work based on the use of recyclable epoxy systems. In our work the results of experimentation carried out by our group with cleavable ammines by Connora Technologies and bioepoxy resins by Entropy Resins will be discussed. The multiple uses of recycled matrices obtained treating the recyclable epoxy resins are discussed in the framework of a "cradle" to "crave" approach. Finally, Life Cycle Assessment (LCA) is used to evaluate the environmental benefits of the proposed approach.

  18. Molecular insights into the local anesthetic receptor within voltage-gated sodium channels using hydroxylated analogues of mexiletine

    Directory of Open Access Journals (Sweden)

    Jean-François eDesaphy

    2012-02-01

    Full Text Available We previously showed that the β-adrenoceptor modulators, clenbuterol and propranolol, directly blocked voltage-gated sodium channels, whereas salbutamol and nadolol did not (Desaphy et al., 2003, suggesting the presence of two hydroxyl groups on the aromatic moiety of the drugs as a molecular requisite for impeding sodium channel block. To verify such an hypothesis, we synthesized five new mexiletine analogues by adding one or two hydroxyl groups to the aryl moiety of the sodium channel blocker and tested these compounds on hNav1.4 channels expressed in HEK293 cells. Concentration-response relationships were constructed using an holding potential of -120 mV at 0.1 Hz (tonic block and 10 Hz (use-dependent block stimulation frequencies. The half-maximum inhibitory concentrations (IC50 were linearly correlated to drug lipophilicity: the less lipophilic the drug, minor was the block. The same compounds were also tested on F1586C and Y1593C hNav1.4 channel mutants, to gain further information on the molecular interactions of mexiletine with its receptor within the sodium channel pore. Alteration of tonic block suggests that the aryl moiety of mexiletine may interact either directly or indirectly with Phe1586 in the closed sodium channel to produce low-affinity binding block, and that this interaction depends on the electrostatic potential of the drug aromatic tail. Alteration of use-dependent block suggests that addition of hydroxyl groups to the aryl moiety may modify high-affinity binding of the drug ammine terminal to Phe1586 through cooperativity between the two pharmacophores, this effect being mainly related to drug lipophilicity. Mutation of Tyr1593 further impaired such cooperativity. In conclusion, these results confirm our former hypothesis showing that the presence of hydroxyl groups to the aryl moiety of mexiletine greatly reduced sodium channel block, and provide molecular insights into the intimate interaction of local anesthetics with

  19. A regenerable ruthenium tetraammine nitrosyl complex immobilized on a modified silica gel surface: preparation and studies of nitric oxide release and nitrite-to-NO conversion.

    Science.gov (United States)

    Doro, Fabio Gorzoni; Rodrigues-Filho, Ubirajara P; Tfouni, E

    2007-03-15

    Silica gel bearing isonicotinamide groups was prepared by further modification of 3-aminopropyl-functionalized silica by a reaction with isonicotinic acid and 1,3-dicyclohexylcarbodiimide to yield 3-isonicotinamidepropyl-functionalized silica gel (ISNPS). This support was characterized by means of infrared spectroscopy, elemental analysis, and specific surface area. The ISNPS was used to immobilize the [Ru(NH(3))(4)SO(3)] moiety by reaction with trans-[Ru(NH(3))(4)(SO(2))Cl]Cl, yielding [Si(CH(2))(3)(isn)Ru(NH(3))(4)(SO(3))]. The related immobilized [Si(CH(2))(3)(isn)Ru(NH(3))(4)(L)](3+/2+) (L=SO(2), SO(2-)(4), OH(2), and NO) complexes were prepared and characterized by means of UV-vis and IR spectroscopy, as well as by cyclic voltammetry. Syntheses of the nitrosyl complex were performed by reaction of the immobilized ruthenium ammine [Si(CH(2))(3)(isn)Ru(NH(3))(4)(OH(2))](2+) with nitrite in acid or neutral (pH 7.4) solution. The similar results obtained in both ways indicate that the aqua complex was able to convert nitrite into coordinated nitrosyl. The reactivity of [Si(CH(2))(3)(isn)Ru(NH(3))(4)(NO)](3+) was investigated in order to evaluate the nitric oxide (NO) release. It was found that, upon light irradiation or chemical reduction, the immobilized nitrosyl complex was able to release NO, generating the corresponding Ru(III) or Ru(II) aqua complexes, respectively. The NO material could be regenerated from these NO-depleted materials obtained photochemically or by reduction. Regeneration was done by reaction with nitrite in aqueous solution (pH 7.4). Reduction-regeneration cycles were performed up to three times with no significant leaching of the ruthenium complex. PMID:17196216

  20. Fluoridonitrosyl complexes of technetium(I) and technetium(II). Synthesis, characterization, reactions, and DFT calculations.

    Science.gov (United States)

    Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich

    2014-05-19

    A mixture of [Tc(NO)F5](2-) and [Tc(NO)(NH3)4F](+) is formed during the reaction of pertechnetate with acetohydroxamic acid (Haha) in aqueous HF. The blue pentafluoridonitrosyltechnetate(II) has been isolated in crystalline form as potassium and rubidium salts, while the orange-red ammine complex crystallizes as bifluoride or PF6(-) salts. Reactions of [Tc(NO)F5](2-) salts with HCl give the corresponding [Tc(NO)Cl4/5](-/2-) complexes, while reflux in neat pyridine (py) results in the formation of the technetium(I) cation [Tc(NO)(py)4F](+), which can be crystallized as hexafluoridophosphate. The same compound can be synthesized directly from pertechnetate, Haha, HF, and py or by a ligand-exchange procedure starting from [Tc(NO)(NH3)4F](HF2). The technetium(I) cation [Tc(NO)(NH3)4F](+) can be oxidized electrochemically or by the reaction with Ce(SO4)2 to give the corresponding Tc(II) compound [Tc(NO)(NH3)4F](2+). The fluorido ligand in [Tc(NO)(NH3)4F](+) can be replaced by CF3COO(-), leaving the "[Tc(NO)(NH3)4](2+) core" untouched. The experimental results are confirmed by density functional theory calculations on [Tc(NO)F5](2-), [Tc(NO)(py)4F](+), [Tc(NO)(NH3)4F](+), and [Tc(NO)(NH3)4F](2+). PMID:24797021

  1. Study on the immobilisation of radionuclides by adsorption with specific adsorbers from waters

    International Nuclear Information System (INIS)

    The presence of uranium and thorium and other actinides in the environment is due to many factors, and mainly to the nuclear power production. Significant amounts of radionuclides are released in fresh waters owing to mining and ore processing and from waste dumps. Leaching, migration, and re-circuit processes constitute a permanent source of environmental pollution. It seemed worth wile to investigate on specific adsorbers, able to concentrate different radionuclides from natural waters flowing in the vicinity of pollution sources. The adsorbers can work better than the natural organic-inorganic matters, which cause concentration and remotion of some ions from natural waters. An useful adsorber should be easily prepared and not expensive; its adsorption capacity should be high and it should provide good concentration factors. For this purpose some phosphate and an organic compound, i.e. benzilic acid, was set because of their great ability to give salts with many ions in different conditions. Magnesium-ammonium and aluminium phosphate, and benzilic acid partially salted by d-glucose ammine were adsorbed either on cellulose or on active charcoal in order to obtain an high specific surface, which in turn speed up the adsorption process. The support material itself may cause the adsorption of some hydrolysed species, mainly occurring for actinides at the pH of natural waters. The adsorbers prepared on charcoal showed a better adsorption ability probably owing to a greater active surface. Among the prepared adsorbers the aluminium phosphate exhibited the best functionality. The adsorbers were tested using natural waters samples. (authors)

  2. Phase transfer of hydrophobic QDs for water-soluble and biocompatible nature through silanization

    International Nuclear Information System (INIS)

    Graphical abstract: A facile and novel method has been developed for creating water-soluble and biocompatible CdSe/ZnS quantum dots with a small hydrodynamic diameter (less than 10 nm) via silanization. Highlights: ► A facile and novel method has been developed for creating water-soluble and biocompatible CdSe/ZnS quantum dots (QDs) with a small hydrodynamic diameter (less than 10 nm). ► The control of ligand exchange plays an important role to retain high fluorescence quantum yields. ► The functional SiO2-coated QDs were conjugated with immunoglobin G antibody by using biotin–streptavidin as linkers. ► The QD phase transfer by silanization is a well-established method for generating biocompatible QDs. -- Abstract: A novel method has been developed for creating water-soluble and biocompatible CdSe/ZnS quantum dots (QDs) with a small hydrodynamic diameter (less than 10 nm). The silanization of the QDs was carried out by using partially hydrolyzed tetraethyl orthosilicate (TEOS) to replace organic ammine or tri-n-octylphosphine oxide on the surface of the QDs. The partially hydrolyzed 3-mercaptopropyltrimethoxysilane attached to the hydrolyzed TEOS layer on the QDs prevented the QDs from agglomeration when the QDs were transferred into water. The functional SiO2-coated QDs were conjugated with immunoglobin G antibody by using biotin–streptavidin as linkers. The SiO2-coated QDs exhibited the same absorption and photoluminescence (PL) spectra as those of initial QDs in organic solvents. The SiO2-coated QDs preserved PL intensities, is colloidally stable over a wide pH range (pH 6–11). Because the mean diameter of amphiphilic polymer-coated QDs was almost 2 times of that of functional SiO2-coated QDs, the QD phase transfer by silanization is a well-established method for generating biocompatible QDs.

  3. Effect of solution temperature on methylene blue degradation in glow corona discharge reactor

    Energy Technology Data Exchange (ETDEWEB)

    Benetoli, L.O.B.; Cadorin, B.M.; Goncalves de Souza, I.; Debacher, N.A. [Federal Univ. of Santa Catarina, Florianopolis, Santa Catarina (Brazil). Dept. of Chemistry

    2010-07-01

    Non-thermal plasma (NTP) is an emerging technology for water cleaning that can be used in several environmental and industrial processes. Electrical discharges above or below the water surface cause chemical activation of a system through the production of strong oxidant species in solution that can be used to break down and remove toxic organic contaminants such as dyes, phenols or aromatic ammines that are present in the aqueous phase. This study investigated the effect of bath solution temperature on methylene blue (MB) degradation in a point-to-plate glow corona discharge (GCD) reactor. MB is used to mediate electron transfer in microbial fuel cells. The activation energy involved in the dye degradation was estimated in order to better understand the chemical processes taking place in the liquid phase triggered by the NTP discharge. The plasma channels were created in the nitrogen gas phase above the solution surface. The bath solution temperature varied between 4 to 47 degrees C. The dye removal percentage increased as the bath temperature increased except at 47 degrees C, when a decrease in the MB removal was observed. The formation of hydrogen peroxide (H{sub 2}O{sub 2}) increased as the bath temperature decreased. The maximum H{sub 2}O{sub 2} concentration was observed at 4 degrees C. This effect may be related to the viscosity and diffusion coefficients of water and dye/H{sub 2}O{sub 2} molecules. This paper also presented the activation energy of the GCD process as determined by the Arrhenius equation. 11 refs., 1 tab., 6 figs.

  4. Mass and Cumulative Yields in Near-Symmetric Fission of U235 with Thermal Neutrons. Part I. The 121-Mass Chain

    International Nuclear Information System (INIS)

    Determination of fission yield of mass 121 and of cumulative yields of members of that decay chain have been made as part of a study of symmetric and near-symmetric fission of uranium-235 with thermal neutrons. Fast chemical separation methods have been developed that permit isolation of selected fission product elements in 3-30 s. The methods have been applied to identification and characterization of new, short-lived radionuclides in addition to their use in studies of distribution of nuclear charge in fission. The cumulative fission yield of Sn121 (27.5h) was measured to be (1.1±0.1) 10-2% as compared to the single literature value of 1.5 x 10-2%. Taking the cumulative yield of Sn121m (∼25 yr) as 0,08 x 10-2%, and making the reasonable assumption that the independent fission yield of Sb121 is negligible, we obtain a fission mass yield of (1.2±0.1) 10-2% for mass chain 121 in thermal-neutron fission of uranium-235. Identification of Cd121 was made. Its half-life and cumulative fission yield were determined to be 12.8+0.4-0.3 s and (6.4±0.5) 10-3% respectively. If the nuclear charge distribution curve is Gaussian and if a width parameter o of 0.62 as given by Wahl et al. is taken, the cumulative fission yield of Cd121 leads to a value of 48.35 for the most probable nuclear charge (Zp) for mass chain 121. This value of Zp, combined with published values for other mais chains more removed from symmetric fission, indicates in a preliminary way that the Zp function proceeds towards the point of symmetric fission by a gentle rather than an abrupt approach. Fast chemical separation techniques have been developed based on sublimation of metal chelates, precipitation and metal reduction reactions. Isolation of indium in about 30 s was accomplished by precipitation and sublimation of its acetylacetonate. With this procedure the cumulative fission yield of In121 (3.1 min) was determined to be 3.2 x 10-3%. Cadmium as an ammine complex was separated in 3 s from hydroxide

  5. Synthesis, characterization and molecular sensing capability of fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] where dpktsc = di-2-pyridylketone thiosemicarbazone

    Science.gov (United States)

    Bakir, Mohammed; Brown, Ordel

    2009-07-01

    When di-2-pyridyl ketone thiosemicarbazone (dpktsc) was allowed to react with [Re(CO) 5Cl] in toluene under reflux, fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] was isolated in good yield. The identity of fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] was established from the results of its elemental analysis, spectroscopic, and electrochemical properties. The infrared spectra of fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] show the facial coordination of the carbonyl groups, and the pyridyl N,N-coordination of dpktsc. 1H NMR measurements on fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] in d6-dmso and d6-acetone confirmed the pyridyl N,N-coordination of dpktsc, and showed strong solvent dependence as manifested by the sensitivity of thioamide and ammine protons to their surroundings. The electronic absorption spectra of fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] in protophilic solvents (dmso and dmf) display two intra-ligand charge transfer (ILCT) transitions at 476 and 360 nm and in non-protophilic solvents a single ILCT transition at 346 nm in CH 3CN and 342 nm in CH 2Cl 2. Reversible interconversion between fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] and its conjugate base was established in protophilic solvents using a base to shift the equilibrium to the conjugate base and an acid to shift the equilibrium or conjugate base to the neutral form. Substrates in concentrations as low as 1 × 10 -10 M can be detected and determined using protophilic solutions of fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl]. When MCl 2 (M = Zn, Cd or Hg) was allowed to interact with fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] in protophilic solvents, the intensity of the low energy ILCT band disappeared and a shift in the high energy ILCT electronic transition was observed that hints to the coordination of MCl 2 to fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl]. Electrochemical measurements on fac-[Re(CO) 3(κ 2-N,N-dpktsc)Cl] in dmf showed sequential irreversible redox processes in accord with the electrochemical reduction or oxidation of the thiosemicarbazone moiety.

  6. Oxaliplatin Binding to Human Copper Chaperone Atox1 and Protein Dimerization.

    Science.gov (United States)

    Belviso, Benny D; Galliani, Angela; Lasorsa, Alessia; Mirabelli, Valentina; Caliandro, Rocco; Arnesano, Fabio; Natile, Giovanni

    2016-07-01

    Copper trafficking proteins have been implicated in the cellular response to platinum anticancer drugs. We investigated the reaction of the chaperone Atox1 with an activated form of oxaliplatin, the third platinum drug to reach worldwide approval. Unlike cisplatin, which contains monodentate ammines, oxaliplatin contains chelated 1,2-diaminocyclohexane (DACH), which is more resistant to displacement by nucleophiles. In solution, one or two {Pt(DACH)(2+)} moieties bind to the conserved CXXC metal-binding motif of Atox1; in the latter case the two sulfur atoms likely bridging the two platinum units. At longer reaction times, a dimeric species is formed whose composition, Atox12·Pt(2+)2, indicates complete loss of the diamine ligands. Such a dimerization process is accompanied by partial unfolding of the protein. Crystallization experiments aiming at the characterization of the monomeric species have afforded, instead, a dimeric species resembling that already obtained by Boal and Rosenzweig in a similar reaction performed with cisplatin. However, while in the latter case there was only one Pt-binding site (0.4 occupancy) made of four sulfur atoms of the CXXC motifs of the two Atox1 chains in a tetrahedral arrangement, we found, in addition, a secondary Pt-binding site involving Cys41 of the B chain (0.25 occupancy). Moreover, both platinum atoms have lost their diamines. Thus, there appears to be little relationship between what is observed in solution and what is formed in the solid state. Since full occupancy of the tetrahedral cavity is a common feature of all Atox1 dimeric structures obtained with other metal ions (Cu(+), Cd(2+), and Hg(2+)), we propose that in the case of platinum, where the occupancy is only 0.4, the remaining cavities are occupied by Cu(+) ions. Experimental evidence is reported in support of the latter hypothesis. Our proposal represents a meeting point between the initial proposal of Boal and Rosenzweig (0.4 Pt occupancy) and the

  7. Radiochemical determination of Ni-63 produced by Hiroshima A-bomb in copper samples

    International Nuclear Information System (INIS)

    Dosimetry system for the Hiroshima/Nagasaki Atomic Bomb has been developed in order to estimate the radiation dose of the victims. In 1986, DS86 (Dosimetry System 1986) was proposed on the basis of a lot of measurement results and computer simulations. However, there was discrepancy between the calculation and measurement results at the long range from the epicenter in the case of Hiroshima, especially for the neutron dose. Determination of 63Ni (t1/2 - 100 y) produced by 63Cu(n,p)63Ni reaction has been tried to determine the fast neutron dose by means of accelerator mass spectrometry and radiochemical method. The amount of 63Ni produced in three copper samples exposed by Hiroshima A-bomb was determined in this work radiochemically. Analyzed copper samples were i) copper wires for a lightening rod of the Bank of Japan (slant range 706 m, weight 40.15 g), ii) copper wires for a lightening rod of the San-in Godo Bank (864 m, 91.35 g), and iii) copper rain gutters of the building of Hiroshima University (1502 m, 2715.7 g). 63Ni were extracted with Ni carrier and/or Ni impurity in the sample by ion-exchange, solvent extraction and other chemical separation. The chemical yield of Ni for each sample was determined by ICP-AES, and was 0.58, 53.0, and 63.4% for the sample i), ii), and iii), respectively. The amount of 63Ni was measured with a low background liquid scintillation counter at the RI center of the University of Tokyo. Scintillation cocktails for sample i) and ii) were prepared by adding Clearsol-I into Ni/HCl solution. In the case of sample iii), the impurity of Ni in the sample was so large that the quenching effect would be too strong to measure efficiently. Therefore the cocktail for the sample iii) was prepared by adding Clearsol-I into the Ni sample as an ammine complex. The determined amount of 63Ni produced in 1 g Cu at time-of-bombardment was 1.65 x 108, 6.24 x 105, and 7.97 x 104 for the sample i), ii), and iii), respectively. The correction for the

  8. Technological aspects of corrosion control in metallic systems

    Science.gov (United States)

    Taylor, Matthew Logan

    Three corrosion control technologies were investigated, including the effect of nitrogen on the passivity of chromium in sulfate solutions, possible issues associated with the use of amines in steam turbine environments and the microstructure of naval advanced amorphous coatings. Nitrogen (N) is a minor alloying element commonly used to increase the strength of steels by stabilizing the austenite phase. Physical vapor deposited chromium + nitrogen (0, 6.8 and 8.9 at.%N) coatings were investigated as a model system, to test the model. Because Cr passive films have been observed to be generally n-type semiconductors, an impedance function containing a n-type Faradaic impedance was constructed and optimized to electrochemical impedance spectra for the model system at pH 4,7 and 10 1M sulfate solution at 30°C. An apparent deviation from theory was observed, however. The n-type model predicted steady state currents which were independent of potential, while the observed current densities had a positive correlation with potential. Mott-Schottky analysis revealed that the test potentials were within the n-p transition and p-type potential range, which resolves the apparent deviation. Despite this difficulty, however, the impedance model produced reasonably accurate results, calculating current densities to within one order of magnitude of the measured steady state currents where anodic currents were available and passive film thicknesses on the order of 1-2 nm. Various amines are commonly used to inhibit corrosion in thermal power generation systems, including steam turbines, by increasing the pH. However, during the shutdown phase of the power plant, it is possible for these inhibitors to concentrate and cause corrosion of the turbine rotor. The effect of two ammine inhibitors (monoethanolamine and dimethylamine) on the passivity of ASTM A470/471 steel is investigated in a simulated turbine environment at pH 7, and temperatures of 95°C and at 175°C. Potentiodynamic

  9. Fabrication of Zinc Oxide Thin Film Transistors via Low-Temperature Solution Processing%低温溶液加工法制备氧化锌薄膜晶体管

    Institute of Scientific and Technical Information of China (English)

    兰林锋; 宋威; 史文; 彭俊彪

    2015-01-01

    为适应柔性有源有矩阵有机发光二极管(AMOLED)等新型显示技术发展的需要,将低温溶液处理的氧化锌作为半导体层、电化学氧化的氧化铝钕作为栅绝缘层,制备了氧化锌薄膜晶体管(TFT).制备氧化锌半导体层所用的前驱体溶液为无碳的 Zn(OH)x-(NH3)y(2-x)+水溶液,这种氨络合物溶液制备简单、成本低,并且由于容易形成高活性的氢氧自由基,使得氨-金属之间的分解所需要的活化能较低,生成氧化锌所需的能量较小,可以在180℃的较低温度下获得氧化锌多晶薄膜.所制备的 TFT 器件的最高迁移率可达0.9 cm2/(V·s).这种低温氧化锌薄膜工艺与室温电化学氧化的栅绝缘层工艺相结合,具有温度低和迁移率高的特点,完全能与柔性衬底兼容,在柔性显示中具有很大的应用前景.%In order to meet the requirements of novel display technologies such as flexible active-matrix organic light-emitting diodes (AMOLED),thin film transistors (TFTs)are fabricated,with low-temperature solution-pro-cessed ZnO as the semiconductor layer and with electrochemical oxidized alumina neodymium as the gate dielectric layer.In the preparation of ZnO semiconductor layer,carbon-free aqueous Zn(OH)x (NH3 )y(2 -x)+ solution with low cost and fabrication simplicity is employed,and,more importantly,the energy for metal-ammine dissociation and ZnO formation is rather low thanks to the highly activated hydroxyl radicals.As a result,ZnO polycrystalline films can be realized at a relatively low temperature,namely 1 80℃.The proposed low-temperature solution-pro-cessed ZnO fabrication method combining with room-temperature electrochemically-oxidized gate dielectric layer helps achieve high mobility up to 0.9 cm2 /(V·s),and is completely compatible with flexible substrates,so that it meets the demand of flexible electronic devices well.