Structural and electronic properties of borazine cyclacenes


Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.540, pp.153-156, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 540
  • Publication Date: 2001
  • Doi Number: 10.1016/s0166-1280(00)00735-1
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.153-156

Abstract

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.