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


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.680, ss.33-36, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 680
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1016/j.theochem.2004.03.041
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.33-36

Özet

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.