Structural and electronic properties of borazine cyclacenes


Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.540, ss.153-156, 2001 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 540
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1016/s0166-1280(00)00735-1
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.153-156

Özet

The structural and electronic properties of borazine cyclacenes (BNn) have been investigated by performing semiempirical molecular orbital self-consistent field calculations at the level of AM1 method within the RHF formulation. It has been found that as the number of borazine rings increases in the arenoid belt the structures become more exothermic. (C) 2001 Elsevier Science B.V. All rights reserved.