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

ITP OpenIR > SCI期刊论文

	QIN, SJ; YOU, WM; SU, ZB; QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA.
	THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X
Source Publication	CHEMICAL PHYSICS LETTERS
Keyword	Electronic-structure C-60 Carbon C70
Abstract	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.
	1993
ISSN	0009-2614
Volume	213 Issue:40972 Pages:373-376
Subject Area	Physics
Indexed By	SCI
Document Type	期刊论文
Identifier	http://ir.itp.ac.cn/handle/311006/11996
Collection	SCI期刊论文
Corresponding Author	QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA.
Recommended Citation 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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