An AM1 study on a certain cyclophane fused spirooxazine system and some of its isomers


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.639, pp.11-20, 2003 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 639
  • Publication Date: 2003
  • Doi Number: 10.1016/s0166-1280(03)00568-2
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.11-20

Abstract

A certain spirooxazine system containing azaindoline moiety as well as a cyclophane system has been considered. Also its isomeric forms, acyclic isomers, of the spirocompound have been the present concern for the AM1 (RHF) type semiempirical quantum-chemical treatment. Some geometrical and physicochemical data, thermodynamic as well as molecular orbital energetics and UV-Vis spectral characteristics have been presented. (C) 2003 Elsevier B.V. All rights reserved.