The effect of cyclization on acenes

Turker L.

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

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 531
  • Basım Tarihi: 2000
  • Doi Numarası: 10.1016/s0166-1280(00)00466-8
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.333-337
  • Anahtar Kelimeler: cyclacenes, acenes, 1,4-dihydrocyclacenes, AM1 calculations, cyclizations, POLYCYCLIC AROMATIC-HYDROCARBONS, AM1 TREATMENT, CYCLACENES, HUCKEL
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

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.