PM3 treatment of certain catenanes having cyclacenes and cyclotriacontene units

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Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.574, pp.177-183, 2001 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 574
• Publication Date: 2001
• Doi Number: 10.1016/s0166-1280(01)00649-2
• Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.177-183
• Middle East Technical University Affiliated: No

Abstract

The results of PM3 (RHF) type semiempirical quantum chemical treatment of certain catenanes which consisted of all-trans cyclotriacontene shaft and the cyclacene shuttle, having R benzenoid rings (R = 6-9) were reported. The results have indicated that the cryptoannulenic effect which is the characteristic property of cyclacenes is almost lost when they are incorporated into the structures of catenanes considered. (C) 2001 Elsevier Science BN. All rights reserved.