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991.
992.
Anna Painelli Francesca Terenziani Zoltán G. Soos 《Theoretical chemistry accounts》2007,117(5-6):915-931
We discuss electron-transfer processes that govern the physics of several materials or systems of interest for advanced applications.
The discussion touches upon several topics, ranging from solvatochromism to solvent-induced symmetry breaking, from excitonic
to cooperative effects in molecular crystals, from phase transitions to vibrational contributions to the dielectric constant
in organic materials, from spectroscopy to molecular transport. In all these diverse systems electron transfer (ET) plays
a major role and is discussed with reference to simple models for delocalized charges. 相似文献
993.
O. V. Shishkin 《Russian Chemical Bulletin》1997,46(9):1510-1512
The molecular geometries and inversion barriers of the rings in 2-oxo-1,2,3,4-tetrahydropyridine and its alkyl-substituted
(Me, Et, Pri, or But) and phenyl-substituted derivatives were calculated by the molecular mechanics method. The introduction of substituents has
no substantial effect on the equilibrium conformation of the heterocycle (a distorted sofa). For 4-alkyl- and 3-alkyl-substituted
derivatives (except for 4-Me and 4-Et derivatives), an axial orientation of the alkyl group is more favorable. The phenyl
substituents have equatorial and axial orientations at postions 4 and 3, respectively.
Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1584–1586, September, 1997. 相似文献
994.
The reaction of poly- and perfluoroaldehyde hydrazones with hydrazine hydrate was studied. A new preparative method for obtaining the hitherto inaccessibleN,N-unsubstituted bis-hydrazones of polyfluorinated -oxoaldehydes was developed based on this reaction.For Part 2, seeIzv. Akad. Nauk, Ser. Khim., 1995, 2465 [Russ. Chem. Bull, 1995,44, 2360 (Engl. Transl.)].Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2526–2527, December, 1995.This study was financially supported by the Russian Foundation for Basic Research (Grant No. 94-03-08548) and the International Science Foundation (Grant Nos. NDL 000 and NDL 300). 相似文献
995.
B. A. Korolev L. A. Osmolovskaya Yu. V. Kuznetsov L. G. Stolyarova L. D. Smirnov 《Russian Chemical Bulletin》1992,41(2):333-336
Examination of the acid-base properties of 5-hydroxybenzimidazoles has shown them to exist in nitromethane as the 5-hydroxy-tautomers. Substituents in the 2-position have a predominantly inductive effect on the basicity of the 3-nitrogen, rationalized as in other nitrogen heterocycles by the proximity of the substituents to the reaction center.N. N. Semenov Institute of Chemical Physics, Russian Academy of Sciences, 117977 Moscow. The Research Institute for Intermediates and Dyes, 103787 Moscow. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 2, pp. 421–425, February, 1992. 相似文献
996.
A simple and accurate digestion method using nitric acid, perchloric acid and hydrogen peroxide has been developed for use in trace analysis for heavy metals in vegetables by differential pulse anodic stripping voltammetry. The recovery of the metals from the samples is lower if the hydrogen peroxide is omitted from the digestion mixture. Standard reference materials have been analysed satisfactorily by this method. 相似文献
997.
地质样品中金,银,铊等元素的连续原子吸收光谱法测定 总被引:4,自引:0,他引:4
本文提出了一个一次称样连续测定金、银、铊的简便、快速的新方法。该法是以泡塑吸附金、铊,使银等定量地保留在溶液中。泡塑上的铊用EDTA解脱后,再用硫脲溶液继续解脱金,然后,采用原子吸收光谱法连续测定金、银、铊。方法用于黄铁矿、方铅等单矿矿物及岩石、土壤样品中xng/g~xxxμg/g金、银、铊的测定,获得满意结果。 相似文献
998.
The perfect matching vector and forcing and the Kekulé-vector of cata-benzenoids are defined. Two theorems are given which
set the sufficient and necessary conditions for HKZ-vector (Harary et al. J Math Chem 6:295, 1991) and Kekulé-vector in cata-benzenoids.
Additional two theorems are obtained which give sharp bounds for the modules of HKZ- and Kekulé vectors.
Dedicated to Professor Tadeusz Marek Krygowski on the happy occasion of his 70th birthday. 相似文献
999.
Sonia E. Blanco 《Tetrahedron letters》2007,48(14):2577-2581
By applying the B3LYP/6-31G(d) method with the SCIPCM model on seven 4X substituted 2-hydroxybenzaldehydes, some structural characteristics related with their conformational equilibria and intramolecular hydrogen bonds have been clarified. The compounds are almost completely under the planar conformation characterized by a strong intramolecular hydrogen bond, which decreases in those solvents that possess a higher hydrogen bond donating capability and polarity. The substituents exert a marked influence on the conformational equilibrium constants and the strength of the IHB. Moreover, the excellent Hammett-type equations obtained support the proposed conformational reactions to quantify the IHB in the o-hydroxybenzaldehydes studied. 相似文献
1000.