Structural aspects of the aromaticity of cyclic π-electron systems with BN bonds

Izabela Madura , Tadeusz M. Krygowski , Michal K. Cyrański

Abstract

An extension of the HOMA model and Bird's I6 model for systems with BN bonds is given. Analysis of the aromatic character of 11 pairs of borazine derivatives and their benzene analogues is done based on Cambridge Structural Database (CSD) release using HOMA and I6 indices. Borazine derivatives exhibit less aromatic character than their benzene analogues and are much less sensitive to the chemical and topological effects from the environment of the rings in question. In contrast to cyclooctatetraene, 1,3,5,7-tetra-t-butyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraazatetraborocine does not exhibit antiaromatic character.
Author Izabela Madura KChNTCS
Izabela Madura,,
- Chair Of Inorganic Chemistry And Solid State Technology
, Tadeusz M. Krygowski
Tadeusz M. Krygowski,,
-
, Michal K. Cyrański
Michal K. Cyrański,,
-
Journal seriesTetrahedron, ISSN 0040-4020
Issue year1998
Vol54
No49
Pages14913-14918
DOIDOI:10.1016/S0040-4020(98)00933-8
URL http://www.sciencedirect.com/science/article/pii/S0040402098009338
Score (nominal)30
Publication indicators WoS Impact Factor: 2006 = 2.817 (2) - 2007=2.854 (5)
Citation count*41 (2015-04-02)
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