Germaannulenic cyclacenes - AM1 treatment

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Atıf İçin Kopyala

Turker L.

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

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 531
• Basım Tarihi: 2000
• Doi Numarası: 10.1016/s0166-1280(00)00462-0
• Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.175-179
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

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.