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91.
Nickolay I. Tyryshkin Viktor V. Gavrilov Alexandra V. Fuzhenkova 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1-4)
Abstract It has been known more than for 100 year that triethylphosphine forms the 1:1 adducts with carbon disulfide and isothiocyanates. However, little is know on the reaction of the adducts and the formation of reactive alkylidenephosphoranes was recently reported by the reaction of adducts with electron-poor double bonds. 相似文献
92.
V. V. Matveev D. A. Markelov V. I. Chizhik P. Ingman E. Lähderanta 《Russian Chemical Bulletin》2013,62(9):1985-1990
1-Ethyl-3-methylimidazolium acetate was studied by NMR relaxation. The temperature dependences of the spin-lattice relaxation rates (1/T 1) for 1H and 13C were obtained. The curves with maxima were observed for the majority of the temperature dependences 1/T 1, which provided a reliable temperature dependence of the correlation times (τc). In the low-temperature range, the proton relaxation rates tend to an asymptotic value, which is related, most likely, to spin diffusion manifested in the studied samples. The values of correlation times τc calculated for 1H and 13C of the same functional group almost coincide at high temperatures, which confirms that the used approach is adequate for the determination of characteristic times of rotational reorientation of counterions in the studied ionic liquid. 相似文献
93.
94.
95.
Ilya G. Ryabinkin Viktor N. Staroverov 《International journal of quantum chemistry》2013,113(11):1626-1632
The differential virial theorem (DVT) is an explicit relation between the electron density ρ( r ), the external potential, kinetic energy density tensor, and (for interacting electrons) the pair function. The time‐dependent generalization of this relation also involves the paramagnetic current density. We present a detailed unified derivation of all known variants of the DVT starting from a modified equation of motion for the current density. To emphasize the practical significance of the theorem for noninteracting electrons, we cast it in a form best suited for recovering the Kohn–Sham effective potential vs( r ) from a given electron density. The resulting expression contains only ρ( r ), vs( r ), kinetic energy density, and a new orbital‐dependent ingredient containing only occupied Kohn–Sham orbitals. Other possible applications of the theorem are also briefly discussed. © 2012 Wiley Periodicals, Inc. 相似文献
96.
Evgeny V. Shchegol'kov Anna E. Ivanova Yanina V. Burgart Viktor I. Saloutin 《Journal of heterocyclic chemistry》2013,50(Z1):E80-E86
Azo coupling of 1,3‐dicarbonyl compounds with tetrazolyl‐5‐diazonium chloride is used to develop a convenient one‐step procedure for the synthesis of 4,7‐dihydrotetrazolo[5,1‐c][1,2,4]triazines. In contrast to nonfluorinated analogs, 7‐hydroxy‐7‐polyfluoroalkyl‐4,7‐dihydrotetrazolo[5,1‐c][1,2,4]triazines undergo a ring‐chain isomerism resulting from the cleavage at the C7―N7a bond. A distinctive feature of nonfluorinated 4,7‐dihydrotetrazolo[5,1‐c][1,2,4]triazines is the possibility to dehydration, which is accompanied by an azide rearrangement due to the tetrazole ring cleavage with the formation of tetrazolo[1,5‐b][1,2,4]triazines. 相似文献
97.
Timur I. Savchenko Olexiy V. Silin Sergiy M. Kovalenko Vladymir I. Musatov Viktor M. Nikitchenko 《合成通讯》2013,43(8):1321-1330
The interaction of 3‐phenyl‐1H‐pyrazolo[4.3‐c]quinoline with alkylating agents in the presence of NaH leads mainly to N1‐substituted derivatives. The regioselectivity of the reaction has been studied using AM1 semi‐empirical calculations in the isolated molecule approximation. 相似文献
98.
Mekhman S. Yusubov Elena N. Tveryakova Elena A. Krasnokutskaya Irina A. Perederyna Viktor V. Zhdankin 《合成通讯》2013,43(8):1259-1265
A simple and environmentally safe general method of iodination of aromatic substrates under sovent‐free conditions using the I2/AgNO3 combination in a solid state is reported. Both activated and deactivated aromatic compounds afford the respective aryl iodides in generally high yields (80–90%). 相似文献
99.
Ivan N. Bardasov Anastasiya U. Alekseeva Denis L. Mihailov Oleg V. Ershov Oleg E. Nasakin Viktor A. Tafeenko 《Tetrahedron letters》2014
The synthesis of 2-(dicyanomethylene)-1,2-dihydropyridine derivatives from the reactions of arylmethylidene derivatives of malononitrile dimers with 1,3-dicarbonyl compounds is described. 相似文献