Germaannulenic cyclacenes - AM1 treatment

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Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.531, pp.175-179, 2000 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 531
• Publication Date: 2000
• Doi Number: 10.1016/s0166-1280(00)00462-0
• Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.175-179
• Middle East Technical University Affiliated: No

Abstract

Germaannulenic cyclacenes having R = 3-9 arenoid rings were considered for AM1 type semi-empirical molecular orbital calculations. These yet non-existent structures were expected to be stable but endothermic for R = 3-7 and exothermic for R = 8 and 9. Also, no first- or second-order cryptoannulenic effect is exhibited. (C) 2000 Elsevier Science B.V. All rights reserved.