Germaannulenic cyclacenes - AM1 treatment
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.531, ss.175-179, 2000 (SCI-Expanded, Scopus)
- 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.