Combinatorics of NMR and ESR spectroscopy of C60H36 isomers

被引：7

作者：

Balasubramanian, K ^{[1
]}

机构：

[1] Univ Calif Davis, Ctr Image Proc & Integrated Computing, Livermore, CA 94550 USA

[2] Lawrence Livermore Natl Lab, Chem & Mat Sci & Directorate, Livermore, CA 94550 USA

[3] Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 400卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2004.10.061

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：

We have considered combinatorial and group theoretical analysis of three recently synthesized isomers Of C60H36. We have obtained the generating functions for nuclear spin species of the protons and 13 C nuclei, and special cases of those functions yield the NMR spectral patterns. Our NMR results for three isomers with C-1, C-3 and T symmetries agree with experiment. We have also predicted the ESR hyperfine patterns of radicals derived from the three isomers. Complete tables of nuclear spin species of these isomers have been obtained. (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：78 / 85

页数：8

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