The effect of cyclization on acenes

Authors
Turker, L
Citation
L. Turker, The effect of cyclization on acenes, J MOL ST-TH, 531, 2000, pp. 333-337
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
531
Year of publication
2000
Pages
333 - 337
Database
ISI
SICI code
0166-1280(20001023)531:<333:TEOCOA>2.0.ZU;2-V
Abstract
AM1 type semiempirical calculations were carried out involving acenes, dihy drocyclacenes and cyclacenes, in order to analyze the stabilizing and desta bilizing factors effective on the cyclization of acenes to construct cyclac enes. Also, the effect of cyclization on the frontier molecular orbitals wa s discussed. (C) 2000 Elsevier Science B.V. All rights reserved.