Cyclic conjugation in terminally bent and branched phenylenes

Citation
I. Gutman et Z. Tomovic, Cyclic conjugation in terminally bent and branched phenylenes, I J CHEM A, 40(7), 2001, pp. 678-681
Citations number
21
Categorie Soggetti
Chemistry
Journal title
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
ISSN journal
03764710 → ACNP
Volume
40
Issue
7
Year of publication
2001
Pages
678 - 681
Database
ISI
SICI code
0376-4710(200107)40:7<678:CCITBA>2.0.ZU;2-V
Abstract
Cyclic conjugation in terminally bent and branched phenylenes is studied by means of the effect that individual cycles have on total pi -electron ener gy. These energy-effects are computed by a molecular-orbital approach. The hexagonal squeezes of the phenylenes examined are benzo-annelated polyacene s. A general regularity for the intensity of cyclic conjugation is found. I n the linear part of the molecule, cyclic conjugation follows a pattern ana logous to that in the hexagonal squeeze (Clar-type regularity); in the bent or branched parts of the molecule, the intensity of cyclic conjugation is inverse to what exists in the hexagonal squeeze (anti-Clar-type regularity) .