期刊
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 674, 期 1-3, 页码 125-129出版社
ELSEVIER
DOI: 10.1016/j.theochem.2003.12.049
关键词
heterobenzenes; group 15; DFT study
The behavior of the group 15 heterobenzenes is analyzed from a theoretical point of view (BPW91/6-311-G**level) and compared with the very well-known behavior of pyridine. Special emphasis is deserved to the problems of aromaticity and geometry, which can be useful to explain why stybitine is unstable and bismutinine does not exist as an isolated molecule. In general the lability of all the members of this family (with the exception of pyridine) in normal conditions is also analyzed. (C) 2004 Elsevier B.V. All rights reserved.
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