AM1 treatment of some dinitro derivatives of [2(2)](1,4)-cyclophane


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.680, pp.33-36, 2004 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 680
  • Publication Date: 2004
  • Doi Number: 10.1016/j.theochem.2004.03.041
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.33-36

Abstract

Semiempirical molecular orbital treatment at the level of AMI(RHF) approach has been performed on [2(2)](1,4)-cyclophanes (paracyclophane derivatives) having two nitro substituents at different positions (the bridge positions and phane-deck(s)). All the isomeric structures presently studied are found to be stable but endothermic. (C) 2004 Elsevier B.V. All rights reserved.