The positional effect of dodecagonal holes on C-56 structure

Turker, L

doi:10.1016/j.theochem.2004.01.045

The positional effect of dodecagonal holes on C-56 structure

Atıf İçin Kopyala

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.676, ss.29-33, 2004 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 676
Basım Tarihi: 2004
Doi Numarası: 10.1016/j.theochem.2004.01.045
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.29-33
Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

Some C-56 isomers obtained theoretically from C-60 structure by deleting two C-2 units and bonds adjacent to those have been subjected to AM1 (UHF) type semiempirical quantum chemical calculations. Positional effects of dodecagonal (cyclododecahexaene rings) holes on the stabilities are discussed in the case of neutral as well as monovalent cationic form of these species which are all stable but endothermic in nature. (C) 2004 Elsevier B.V. All rights reserved.