BOND ALTERNATION AND ENERGY INCREMENT IN LINEAR AND ANGULAR ISOMERS OF [N]PHENYLENES

Authors
LIN CL CHU SY OU MC
Citation
Cl. Lin et al., BOND ALTERNATION AND ENERGY INCREMENT IN LINEAR AND ANGULAR ISOMERS OF [N]PHENYLENES, Journal of the Chinese Chemical Society, 45(1), 1998, pp. 13-16
Citations number
14
Categorie Soggetti
Chemistry
Journal title
Journal of the Chinese Chemical Society → ACNP
ISSN journal
00094536
Volume
45
Issue
1
Year of publication
1998
Pages
13 - 16
Database
ISI
SICI code
0009-4536(1998)45:1<13:BAAEII>2.0.ZU;2-X
Abstract
From recent accurate ab initio calculation on [N]phenylenes by Schulma n and Disch, some regular patterns for bond alternation and energy inc rement can be found. We interpreted these results by considering a ''u nit cell'' of interior benzene rings fused to two four-membered rings in either linear or angular fashion. Our model works better in account ing for the structure than for the energy.