Quantum chemical study of the proton acceptor properties of amides and hydrazides of nicotinic and isonicotinic acids |
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| Authors: | G. V. Tsintsadze G. M. Zhidomirov M. A. Meladze A. G. Pel'menshchikov E. A. Kvezereli N. U. Zhanpeisov A. P. Narimanidze |
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| Affiliation: | 1. Institute of Inorganic Chemistry and Electrochemistry, Academy of Sciences of the Georgian SSR, Tbilisi
2. Institute of Catalysis, Siberian Branch, Academy of Sciences of the USSR, Novosibirsk
3. V. I. Lenin Georgian Polytechnical Institute, Tbilisi
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| Abstract: | | 1. | The quantum-chemically calculated proton affinity may be considered a convenient index, characterizing the relative coordinating capacity of the different electron-donor sites of the amides and hydrazides of pyridinecarboxylic acids. | | 2. | The calculated change in the electronic structure of the bonds in these molecules upon proton coordination qualitatively corresponds to the nature of the change in their IR spectra upon complexation. |
Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 4, pp. 931–933, April, 1988. |
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