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QIN, SJ![]() ![]() | |
THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X | |
Source Publication | CHEMICAL PHYSICS LETTERS
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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 | 213Issue:40972Pages: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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