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11.
The electronic structure and chemical bonding in a recently synthesized inorganic fullerene-like molecule, [CuCl]20[Cp*FeP5]12[Cu-(CH3CN) +
2Cl−]5 has been studied by a density functional approach. Geometrical optimization of the three basic structural units of the molecule
is performed with Amsterdam Density Functional Program. The results are in agreement with the experiment. Localized MO’s obtained
by Boys-Foster method give a clear picture of the chemical bonding in this molecule. The reason why CuCl can react with Cp*FeP5 in solvent CH3CN to form the fullerene-like molecule is explained in terms of the soft-hard Lewis acid base theory and a new concept of
covalence. 相似文献
12.
WANG Bingwu XU Guangxian & CHEN Zhida State Key Laboratory of Rare Earth Materials Chemistry Applications College of Chemistry Molecular Engineering Peking University Beijing China 《中国科学B辑(英文版)》2004,47(2)
The titled inorganic fullerene-like molecule (hereafter abbreviated as IFM) was recently synthe-sized by Bai et al.[1], which attracts a lot of interests from inorganic and organometallic chemists, and questions are raised for this smart molecule: (ⅰ) Why CuCl can react with Cp*FeP5 in solvent CH3CN to form IFM? (ⅱ) What is the nature of chemical bond-ing? (ⅲ) What is the covalence of Cu in this mole-cule? In this paper we intend to answer these questions in terms of the soft-hard … 相似文献
13.
We have used x-ray fluorescence analysis to study the elemental composition of gunshot residues from smooth-bore and rifled-bore
guns. We have established that it is possible to differentiate between types of projectiles (jacketed/lead), types of primers
(corrosive/noncorrosive), and types of propellant powders (black/smokeless) by analysis of the elemental composition of the
gunshot residues. We have shown that the mercury content in gunshot residues on the surface of the object carrying the residues
steadily decreases as storage time increases. Despite this fact, mercury can be preserved as a component of gunshot residues
on the object (cotton cloth) under room conditions for more than 45 days.
__________
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 3, pp. 320–325, May–June, 2006. 相似文献
14.
M. Ismail A. Farraga H. A. Abdusalam Th. El-Sherbini 《International Journal of Theoretical Physics》2004,43(1):111-125
The scattering of electrons by atomic copper has been studied using Born approximation and the concept of the generalized oscillator strength (GOS). Differential and total cross-sections for the excitation of the 3d10 4p2 P state are calculated at incident energies of 100 eV and are compared with other available experimental and theoretical data. The agreement between our calculation for the differential cross-section and the available experimental results is fairly good at the forward angles, while the agreement at large angles is poor. The calculated total cross-sections are compared with the experimental data and those predicted by several theories. It is found that our calculation for the total cross-sections are in a good agreement with the close coupling calculation of Msezane and Henry (1986a, Physical Review A
33, 1631) for incident energies greater than 20 eV. The integrated cross-section measurements of Ismail and Teubner (1995, Journal of Physics B: Atomic, Molecular and Optical Physics
28, 4164) are in good agreement with the present calculation. 相似文献
15.
Isothermal vapor-liquid equilibrium (VLE) data, at 25° C were determined by a saturation method for each of the six methanol or methyl acetate binary systems with dichloromethane, chloroform, and 1,2-trans-dichloroethylene. The experimental data satisfy the Redlich-Kister consistency test, and were correlated with five Gibbs free energy models. All the binary mixtures of methanol with the chlorinated compounds exhibit strong positive deviations from ideality while the mixtures of methyl acetate with the chlorinated compounds present negative deviations from ideal behavior.Communicated at the Festsymposium celebrating Dr. Henry V. Kehiaian's 60th birthday, Clermont-Ferrand, France, 17–18 May 1990. 相似文献
16.
Technical cellulose-2.5-acetates (CA 2.5) were characterized regarding their carbohydrate composition in comparison to the raw material. The association of the CA 2.5 samples in acetone was studied by size exclusion chromatography (SEC) using various acetone grades and styrene divinylbenzene copolymer columns. In HPLC grade acetone with and without addition of 1% water up to three different pre-humps eluted in front of the main fraction of the polymer. The evaluation of the main peak by light scattering measurements resulted in high molar masses indicating that for these technical CA 2.5 samples even the main fraction is not dissolved without association. No pre-humps or association phenomena were observed after addition of 1 ppm LiBr to HPLC grade acetone or with p.a. grade acetone. In addition pre-hump enriched and pre-hump free fractions were isolated by fractionated precipitation. The carbohydrate composition of these fractions was determined and correlated with their association pattern in SEC investigations. 相似文献
17.
F. M. Tukhtaboeva K. S. Davronov I. Zh. Kurbonbaev K. K. Kuchkarov 《Chemistry of Natural Compounds》2006,42(4):477-478
The protein composition of seeds treated with a suspension of ultradisperse iron was studied using electrophoresis on PAAG.
Changes were noted in the fractions with relative electrophoretic mobility (REM) 0.11 of water-soluble and REM 0.37 of buffer-soluble
An-9 cotton seed proteins.
__________
Translated from Khimiya Prirodnykh Soedinenii, No. 4, pp. 384–385, July–August, 2006. 相似文献
18.
The thermal dehydration of copper(II) acetate hydrate has been studied between 353 and 406 K, over a range of humidities.
The dehydration is controlled by nucleation-and-growth kinetics at low temperatures, with an activation energy of 154 kJ·mol−1, which changes to contracting-disc kinetics at higher temperatures with a lower activation energy of 76 kJ·mol−1. Frequency factors have also been derived; the value for the high temperature process is low (107s−1) and that for the low temperature step is high (1017s−1). Optical microscopy has been used to clarify the bulk kinetics; there is evidence for a reactive layer at the surface of
the decomposing solid.
In celebration of the 60th birthday of Dr Andrew K. Galwey 相似文献
19.
Chemisorption of polybenzimidazole on silver and copper etched with nitric acid has been observed by surface-enhanced Raman scattering (SERS). The polymer is found to react chemically with silver, forming a complexed film on the surface. The SERS spectra show that polybenzimidazole film inhibits oxidation of the metal at high temperature, unlike chemisorbed benzimidazole, benzotriazole, and poly(4-vinyl pyridine). © 1992 John Wiley & Sons, Inc. 相似文献
20.
铸膜液的溶剂体系(溶剂和非溶剂)对不对称膜形态的形成有重要作用。为了探索溶剂和透气性间的关系,本文考虑到了制备BCA梯度密度不对称膜的各种溶剂的一系列物理参数,得到了一些定性结果,并指出了更全面、明确、解释两者关系的研究方向。 相似文献