Theoretical study of 31P, 31P coupling constants in cyclotriphosphazenes

被引：6

作者：

Fruchier, A

Vicente, V

Alkorta, I

Elguero, J

机构：

[1] ENSCM, UMR 5076, F-34296 Montpellier, France

[2] CSIC, Inst Quim Med, E-28006 Madrid, Spain

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2005年 / 43卷 / 06期

关键词：

NMR; P-31; DFT calculations; cyclotriphosphazenes; coupling constants;

D O I：

10.1002/mrc.1569

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Several scalar coupling constants (mainly P-31, P-31) were calculated for 10 cyclotriphosphazenes and compared with experimental results when available. Although the experimental values cannot be reproduced, the calculated values are proportional to the experimental values. Some difficult cases, such as F-19, F-19 couplings, are discussed. Copyright (c) 2005 John Wiley & Sons, Ltd.

引用

页码：471 / 474

页数：4

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