THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X

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	THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X
	QIN, SJ; YOU, WM; SU, ZB; QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA.
	1993
发表期刊	CHEMICAL PHYSICS LETTERS
ISSN	0009-2614
卷号	213 期号:40972 页码:373-376
摘要	The theoretical EPR spectrum of C60- in molecular sieve 13X is calculated by including the effect of a positive ion in the sieve. We start with the Huckel model and analyze the system consisting of the icosahedrally shaped C60- with a positive ion above its pentagon. The calculated results show that the EPR spectrum consists of a single line plus a pair of satellites generated by five equivalent atoms, and that the satellites have a combined intensity of 4.9%. Our theoretical results are in agreement with EPR experimental data.
关键词	Electronic-structure C-60 Carbon C70
学科领域	Physics
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收录类别	SCI
文献类型	期刊论文
条目标识符	http://ir.itp.ac.cn/handle/311006/11996
专题	理论物理所SCI论文
通讯作者	QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA.
推荐引用方式 GB/T 7714	QIN, SJ,YOU, WM,SU, ZB,et al. THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X[J]. CHEMICAL PHYSICS LETTERS,1993,213(40972):373-376.
APA	QIN, SJ,YOU, WM,SU, ZB,&QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA..(1993).THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X.CHEMICAL PHYSICS LETTERS,213(40972),373-376.
MLA	QIN, SJ,et al."THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X".CHEMICAL PHYSICS LETTERS 213.40972(1993):373-376.

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