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741.
Nikolina L. Petrova Dimitar S. Todorovsky Veselinka G. Vasileva 《Central European Journal of Chemistry》2005,3(2):263-278
Mn-, LaMn- and LaCaMn-citrates were synthesized at 60–120°C in ethylene glycol medium using chlorides or nitrates as metal
sources. Their composition, IR spectra and thermal decomposition were studied. Equimolar La/Mn ratio has been established
in the complex, prepared from chloride solution with the same initial composition of the metals. In the isolated three-metallic
complex the molar ratio of the metals deviates from the composition in the initial solution. The final products of the heating
of Mn- and mixed-metal LaMn-citrates at 1000°C are phase-homogeneous Mn3O4 (hausmannite) and LaMnO3 respectively. Parasitic phase(s) are observed in LaxCa1−xMnyO3, produced from LaCaMn-citrate. 相似文献
742.
Ole Toft Sørensen 《Journal of Thermal Analysis and Calorimetry》2005,80(3):793-794
Summary An enormous development has taken place within the last five years in synchronous teaching over the Internet, i.e. both the teacher and the students are simultaneously in direct communication with each other as in a normal class-room or auditorium. With this concept it is possible to communicate orally, to exchange Power Point Presentations, documents, programmes and live web-camera pictures. It is even possible to use an electronic black board on which both the teacher and the students can work simultaneously. The great advantage with this type of teaching is that it is not restricted to a single class-room/auditorium with limited access, but in a virtual room accessible to everybody in principle all over the world, and which certainly open up new possibilities in teaching. The purpose of this paper is to present and to discuss the concept of virtual class-room teaching, how the system operates in practice, its advantages and, finally, how its inherent limitations can be overcome. 相似文献
743.
The isolation and structural characterisation of the product of addition of HCN to the Schiff base derived from phenyl 2-pyridyl ketone and 3,4-dimethylaniline (Me2 bsb) provides evidence in favour of a mechanism involving nucleophilic attack at the coordinated ligand for reaction of the complex [Fe(Me2bsb)3]2+ with cyanide. 相似文献
744.
Single-molecule studies that allow to compute pKa values, proton affinities (gas-phase acidity/basicity) and the electrostatic energy of solvation have been performed for a heterogeneous set of 26 organic compounds. Quantum mechanical density functional theory (DFT) using the Becke-half&half and B3LYP functionals on optimized molecular geometries have been carried out to investigate the energetics of gas-phase protonation. The electrostatic contribution to the solvation energies of protonated and deprotonated compounds were calculated by solving the Poisson equation using atomic charges generated by fitting the electrostatic potential derived from the molecular wave functions in vacuum. The combination of gas-phase and electrostatic solvation energies by means of the thermodynamic cycle enabled us to compute pKa values for the 26 compounds, which cover six distinct chemical groups (carboxylic acids, benzoic acids, phenols, imides, pyridines and imidazoles). The computational procedure for determining pKa values is accurate and transferable with a root-mean-square deviation of 0.53 and 0.57 pKa units and a maximum error of 1.0 pKa and 1.3 pKa units for Becke-half&half and B3LYP DFT functionals, respectively. 相似文献
745.
Gian Luigi Bendazzoli 《Theoretical chemistry accounts》2007,118(1):135-142
We present and discuss a variational single-product approximation to the van der Waals dispersion interaction leading to a
simple formula for C
6 that seems capable to give more than 99% of the ‘exact’ value. The formula is derived from Hylleraas’ variational principle
in the tensor product space of the interacting molecules and therefore enjoys bounding properties. The formula has been tested
by computing the C
6 dispersion constants of H–H, and, at Full CI level, of the following systems: He–He, He–Li, Li–Li, LiH–LiH, HF–HF. Connections
with the London formula are discussed.
Contribution to the Fernando Bernardi Memorial Issue. 相似文献
746.
Shahriare Ghammamy Monir Rahnama Baghy Wong Wing-Tak Kheiroallah Mehrani Saied Maleki 《Transition Metal Chemistry》2007,32(2):257-261
The complex of propyltriphenylphosphonium bromochromate(VI), PrPh3P[CrO3Br] is easily synthesized in nearly quantitative yield using a direct reaction of chromium(VI) oxide and propyltriphenylphosphonium
bromide. This compound is a versatile reagent for the efficient and selective oxidation of organic substrates, in particular
for alcohols to their corresponding aldehydes or ketones, under mild conditions. This compound was characterized by IR, UV/Visible,
13C-n.m.r. and 1H-n.m.r. techniques. It crystallized in the monoclinic form and its crystal and molecular structure have been determined by
X-ray crystallography. 相似文献
747.
Microwave synthesis,characterization and catalytic properties of titanium-incorporated ZSM-5 zeolite
Taihuan Jin Young Kyu Hwang Do-Young Hong Sung Hwa Jhung Jin-Soo Hwang San-Eon Park Young Ho Kim Jong-San Chang 《Research on Chemical Intermediates》2007,33(6):501-512
Titanium-incorporated ZSM-5 zeolites (Si/Al = 50–200 and Si/Ti = 70) were successfully synthesized in a one-step sol-gel process
under microwave irradiation. The characteristics of Ti-ZSM-5 zeolites were investigated using X-ray power diffraction, UV/Vis-DRS,
FT-IR spectroscopy and solid-state 27Al-NMR to monitor the physico-chemical properties. Simultaneously, the acidic properties were characterized by the NH3-TPD profile. The characterization results revealed that the Ti4+ and Al3+ ions were well incorporated into the framework of Ti-ZSM-5 zeolite. The prepared zeolite was moderately active but selective
in the dehydration of methanol to dimethyl ether. 相似文献
748.
Oleg V. Mikhailov Marina A. Kazymova Tatyana A. Shumilova Galina A. Chmutova Svetlana E. Solovieva 《Transition Metal Chemistry》2005,30(3):299-304
The complexing process proceeding in the NiII–thiocarbohydrazide (H2N–H–NC(=S)–NH–NH2)–propanone triple system in EtOH solution and nickel(II)hexacyanoferrate(II) gelatin-immobilized matrix has been studied. It has been found that in the first case, template synthesis leading, as a minimum, to formation of three coordination compounds of NiII with (N,N,S,S)-donor tetradentate ligands having NiL1, NiL2 and NiL3compositions where L1 is 4,6,6-trimethyl-2,3,7,8-tetraazanonen-3-di(thiohydrazide)-1,9, L2 is 4,6,6,12-tetrametyl-1,9-dithio-2,3,7,8,10,11-hexaazatridekadien-3,11-hydrazide-1 and L3 is 2,8,10,10,16-pentamethyl-5,13-dithio-3,4,6,7,11,12,14,15-octaazaheptadekatrien-2,7,15 is observed, whereas in the gelatin-immobilized matrix, a complexing process in the system considered does not occur. 相似文献
749.
Yuan Ruo Cao ShuRui Chai YaQin Gao FengXian Zhao Qing Tang MingYu Tong ZhongQiang Xie Yi 《中国科学B辑(英文版)》2007,50(5):620-628
Alternate adsorption of positively charged colloid-Au nanoparticles (nano-Au⊕) and negatively charged hemoglobin (Hb) on L-cysteine (L-cys) modified gold electrode resulted in the assembly of {Hb/nano-Au⊕}n layer-by-layer films/L-cys modified gold electrode. The nano-Au⊕ was characterized by transmission electron micrograph (TEM) and microelectrophoresis. The modified electrode interface morphology was characterized by electrochemical impedance spectroscopy (EIS), atomic force mi- croscopy (AFM), cyclic voltammograms (CV) and chronoamperometry. Direct electron transfer between hemoglobin and gold electrodes was studied, and the apparent Michaelis-Menten constant ( km app) of the modified electrode was evaluated to be 0.10 mmol·L?1. Moreover, the higher activity of proteins in the nano-Au⊕ films could be retained compared with the electropolymerization membrane, since the pro- teins in nano-Au⊕ films retained their near-native structure. Direct electron transfer between hemoglo- bin and electrode and electrochemically catalyzed reduction of hydrogen peroxide on a modified elec- trode was studied, and the linear range was from 2.1×10-8 to 1.2 ×10?3 mol·L-1 (r = 0.994) with a detection limit of 1.1×10-8 mol·L-1 H2O2. 相似文献
750.
Urs P. Wild Hans J. Griesser Vo Dinh Tuan Jean F.M. Oth 《Chemical physics letters》1976,41(3):450-455
The emission spectra of the second excited singlet state of [18] annulene and of monofluoro [18] annulene (in a 3-methylpentane glass at 4 K) are reported. The large energy gap between the first and second excited singlet states inhibits fast internal conversion and favours the appearance of S2 → S0 emission. In addition, fluorescence from the S1 state can be observed in monofluoro [13] annulene by exciting into the S2 or directly into the S1 absorption. 相似文献