Certain cyclophane-fused-azaindoline kind spirooxazines and their some isomers: an AM1 treatment

Tuurker, L

doi:10.1016/j.theochem.2004.03.024

Certain cyclophane-fused-azaindoline kind spirooxazines and their some isomers: an AM1 treatment

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Tuurker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.679, pp.17-24, 2004 (SCI-Expanded)

Publication Type: Article / Article
Volume: 679
Publication Date: 2004
Doi Number: 10.1016/j.theochem.2004.03.024
Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.17-24
Middle East Technical University Affiliated: No

Abstract

A certain set of spirooxazine structures possessing an azaindoline moiety as well as a cyclophane system have been considered such that the position of aza-nitrogen varied in each structure. Also their isomeric acyclic forms are considered. The AM I (RHF) type semiempirical quantum chemical treatment on these species has been performed. (C) 2004 Elsevier B.V. All rights reserved.