Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 674, Issue 1-3, Pages 125-129Publisher
ELSEVIER
DOI: 10.1016/j.theochem.2003.12.049
Keywords
heterobenzenes; group 15; DFT study
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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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