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-Expanded) identifier identifier

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.