The anomalous deuterium isotope effect in the NMR spectrum of methane: An analysis in localized molecular orbitals

被引：12

作者：

Sauer, Stephan P. A. ^{[1
]}

Provasi, Patricio F. ^{[2
]}

机构：

[1] Univ Copenhagen, Dept Chem, Copenhagen 100, Denmark

[2] Northeastern Univ, Dept Phys, RA-3404 Corrientes, Argentina

来源：

CHEMPHYSCHEM | 2008年 / 9卷 / 09期

关键词：

chemical shifts; deuterium isotope effect; localized molecular orbitals; NMR spectroscopy; spin-spin coupling;

D O I：

10.1002/cphc.200800119

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：

Anomaly explained: The secondary isotope effect on the carbon-hydrogen indirect nuclear spin-spin coupling constant in methane, which is larger than the primary isotope effect, is explained in terms of contributions to the coupling constant from localized molecular orbitals. (Graph Presented) © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1259 / 1261

页数：3

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