Theoretical Study of Decachlorocorannulene and its Congeners C20X10 and C20Z5

The electronic structure of C 20 Cl 10 synthesized by arc discharge has been studied using ab initio calculation at MP2/3-21G theory level. Theoretical studies of C 20 F 10 and C 20 O 5 , C 20 S 5 , C 20 P 5 have been carried out using the same method.

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Veröffentlicht in:	Fullerene science and technology 1998-11, Vol.6 (6), p.1111-1122
Hauptverfasser:	Lin, Menghai, Wang, Yuhuang, Huang, Weijie, Huang, Rongbin, Zheng, Lansun
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular clusters Atomic and molecular physics Electronic and magnetic properties of clusters Exact sciences and technology Physics Studies of special atoms, molecules and their ions clusters
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	The electronic structure of C 20 Cl 10 synthesized by arc discharge has been studied using ab initio calculation at MP2/3-21G theory level. Theoretical studies of C 20 F 10 and C 20 O 5 , C 20 S 5 , C 20 P 5 have been carried out using the same method.
ISSN:	1064-122X 1532-2343
DOI:	10.1080/10641229809350260