The effect of cyclization on acenes


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.531, pp.333-337, 2000 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 531
  • Publication Date: 2000
  • Doi Number: 10.1016/s0166-1280(00)00466-8
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.333-337

Abstract

AM1 type semiempirical calculations were carried out involving acenes, dihydrocyclacenes and cyclacenes, in order to analyze the stabilizing and destabilizing factors effective on the cyclization of acenes to construct cyclacenes. Also, the effect of cyclization on the frontier molecular orbitals was discussed. (C) 2000 Elsevier Science B.V. All rights reserved.