NUCLEAR-SPIN STATISTICS OF C60, C60H60 AND C60D60

被引：59

作者：

BALASUBRAMANIAN, K

机构：

[1] Department of Chemistry, Arizona State University, Tempe

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 183卷 / 3-4期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(91)80065-6

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：

The nuclear-spin statistical weights of the rotational levels of (C60)-C-13, C60H60 and C60D60 were obtained using the generalized-character-cycle indices of the I(h) group. The nuclear-spin statistical weights approximately follow the 1:3:3:4:5 ratio for A(g) (A(u)). T1g (T1u), T2g (T2u), G(g) (G(u)) and H(g) (H(u)) symmetries, respectively. The overall nuclear-spin statistical weights of the Jth rotational level of C60H60 and C60D60 are found to vary approximately as (2J + 1) x 19 215 358 678 900 736 and (2J + 1) x 706 519 304 586 988 199 183 738 259, respectively.

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页码：292 / 296

页数：5

相关论文

共 28 条

[1] COMPUTER-GENERATION OF SPECTRA OF GRAPHS - APPLICATIONS TO C60 CLUSTERS AND OTHER SYSTEMS [J].

BALASUBRAMANIAN, K ;

LIU, XY .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (04) :406-415

[2] COMPUTER-GENERATION OF NUCLEAR-SPIN SPECIES AND NUCLEAR-SPIN STATISTICAL WEIGHTS [J].

BALASUBRAMANIAN, K .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (01) :75-88

[3] APPLICATIONS OF COMBINATORICS AND GRAPH-THEORY TO SPECTROSCOPY AND QUANTUM-CHEMISTRY [J].

BALASUBRAMANIAN, K .

CHEMICAL REVIEWS, 1985, 85 (06) :599-618

[4] AN ALGORITHM FOR THE GENERATION OF NUCLEAR-SPIN SPECIES AND NUCLEAR-SPIN STATISTICAL WEIGHTS [J].

BALASUBRAMANIAN, K .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (01) :69-74

[5] A METHOD FOR NUCLEAR-SPIN STATISTICS IN MOLECULAR-SPECTROSCOPY [J].

BALASUBRAMANIAN, K .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (12) :6824-6829

[6] NUCLEAR-SPIN STATISTICS OF CUBANE AND ICOSAHEDRAL BOROHYDRIDE IONS [J].

BALASUBRAMANIAN, K ;

PITZER, KS ;

STRAUSS, HL .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1982, 93 (02) :447-449

[7] THE VIBRATIONAL RAMAN-SPECTRA OF PURIFIED SOLID FILMS OF C-60 AND C-70 [J].

BETHUNE, DS ;

MEIJER, G ;

TANG, WC ;

ROSEN, HJ .

CHEMICAL PHYSICS LETTERS, 1990, 174 (3-4) :219-222

[8] STATISTICAL WEIGHTS FOR OCTAHEDRAL SPHERICAL-TOP MOLECULES [J].

CANTRELL, CD ;

GALBRAITH, HW .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 58 (01) :158-164

[9] UNIFIED THEORY OF GRAPH SPECTRAL REDUCTION NETWORKS .4. SPECTRAL-ANALYSIS OF GRAPHS BY CYCLIC AUTOMORPHISM SUBGROUPS [J].

DAVIDSON, RA .

THEORETICA CHIMICA ACTA, 1981, 58 (03) :193-231

[10] THE INFRARED-EMISSION SPECTRUM OF GAS-PHASE C60 (BUCKMINSTERFULLERENE) [J].

FRUM, CI ;

ENGLEMAN, R ;

HEDDERICH, HG ;

BERNATH, PF ;

LAMB, LD ;

HUFFMAN, DR .

CHEMICAL PHYSICS LETTERS, 1991, 176 (06) :504-508