The effect of cyclization on acenes


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.531, ss.333-337, 2000 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 531
  • Basım Tarihi: 2000
  • Doi Numarası: 10.1016/s0166-1280(00)00466-8
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.333-337

Özet

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.