Ultraviolet photoelectron spectra of three Tm@C82 isomers
Ultraviolet photoelectron spectra of three Tm@C82 isomers
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DOI：
10.1016/j.cplett.2004.12.022
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发表时间：
2005-01-24
影响因子：
2.8
通讯作者：
Kikuchi, K
中科院分区：
文献类型：
--
作者：
Hino, S;Wanita, N;Kikuchi, K
用同步辐射光源测量了三种TM@C-82异构体的紫外光电子能谱。三种异构体的上价带谱(0-5 eV)各不相同，也不同于La@C-82、Sc@C-82和Gd@C-82等三价金属原子包裹的金属富勒烯。Tm@C-82(II)和Ca@C-82(III)光谱的相似性表明这两种金属富勒烯具有相同的笼状结构。用从头算方法模拟得到的光谱表明，不饱和聚酯具有C-S(4号)、C-2(5号)和C-2v(9号)笼状结构。(C)2004年，爱思唯尔出版。
Ultraviolet photoelectron spectra (UPS) of three Tm@C-82 isomers were measured with a synchrotron radiation light source. The upper valence band spectra (0-5 eV) of three isomers are different each other and they also differ from those of other trivalent metal atoms encapsulated metallofullerenes, such as La@C-82, Sc@C-82 and Gd@C-82. Resemblance of the spectra of Tm@C-82 (II) and Ca@C-82 (III) suggests identical cage structures of these two metallofullerenes. The UPS are well reproduced by simulated spectra obtained with ab initio calculation, which indicates that isomers I-III have C-s (No. 4), C-2 (No. 5) and C-2v (No. 9) cage structures. (C) 2004 Published by Elsevier B.V.