An isomer of the endohedral metallofullerene Sc3N@C80 with D5h symmetry

被引：82
|
作者：
Duchamp, JC
Demortier, A
Fletcher, KR
Dorn, D
Iezzi, EB
Glass, T
Dorn, HC
机构：
[1] Emory & Henry Coll, Dept Chem, Emory, VA 24327 USA
[2] Virginia Polytech Inst & State Univ, Dept Chem, Blacksburg, VA 24060 USA
来源：
CHEMICAL PHYSICS LETTERS | 2003年 / 375卷 / 5-6期
关键词：
D O I：
10.1016/S0009-2614(03)00844-3
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The discovery of a new isomer of the endohedral metallofullerene Sc3N@C-80 is reported. C-13 labeled (similar to9%) Sc3N@C-80 has been synthesized and has been characterized by HPLC, mass spectroscopy and C-13 NMR data. The C-13 NMR spectrum shows six peaks with a 1:2:2:1:1:1 ratio that are assigned to the D-5h isomer. The results of theoretical calculations are also reported for the I-h and D-5h isomers of SC3N@C-80. (C) 2003 Elsevier Science B.V. All rights reserved.
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页码：655 / 659
页数：5
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