Dependence of the reactivity of five-membered aromatic heterocycles on their structure. 1. Effect of the number, type, and position of nitrogen atoms on the proton affinity of aminoazoles

V. G. Andrianov, M. A. Shokhen, A. V. Eremeev, S. V. Barmina

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Abstract

The proton affinities (PA) of 16 aminoazoles were calculated by the MNDO and ab initio methods. It was assumed that the effect of the heteroatom on the PA is determined by its type and position and does not depend on the presence of other heteroatoms in the ring. Quantitative characteristics reflecting the effect of heteroatoms at various positions on the PA were obtained by the method of least squares.

Original languageEnglish
Pages (from-to)44-48
Number of pages5
JournalChemistry of Heterocyclic Compounds
Volume23
Issue number1
DOIs
StatePublished - Jan 1987
Externally publishedYes

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