Title of article
Bond length interrelations in benzenoid hydrocarbons and their heteroatom analogues
Author/Authors
Zborowski، نويسنده , , Krzysztof K. and Krygowski، نويسنده , , Tadeusz M.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2014
Pages
3
From page
6359
To page
6361
Abstract
The geometries of some benzenoid hydrocarbons and their analogues with XY (XY = BB, BC, BN, CN, and NN) bonds have been determined at the B3LYP/6-311++G∗∗ level of theory. It is shown that the lengths of peripheral XY bonds are strictly correlated with the lengths of their CC counterparts in native hydrocarbons. No correlation of this type is observed for the XY bonds located inside the rings.
Keywords
Bond length correlation , Theoretical calculations , Aromaticity , Heterocyclic compounds
Journal title
Tetrahedron Letters
Serial Year
2014
Journal title
Tetrahedron Letters
Record number
1891197
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