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

共 28 条

[21] GEMINAL BIS[(TRIPHENYLPHOSPHORANYLIDENE)AMINO]CYCLOTRIPHOSPHAZENES - SYNTHESIS, SUBSTITUTION-REACTIONS, AND NUCLEAR MAGNETIC-RESONANCE SPECTRA
LENSINK, C
DERUITER, B
VANDEGRAMPEL, JC
[J]. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1984, (08): : 1521 - 1526
[22] THOMAS B, 1980, Z CHEM, V20, P217
[23] N-15-LABELED CYCLOTRIPHOSPHAZATRIENES (N-15PR2)3 AS EXAMPLES FOR A SIMPLIFIED AA'A''XX'X'' SPIN SYSTEM
THOMAS, B
GROSSMANN, G
[J]. JOURNAL OF MAGNETIC RESONANCE, 1979, 36 (03) : 333 - 341
[24] THOMAS B, 1992, PHOSPHORUS SULFUR, V65, P91
[25] Thomas B., 1986, RUSS CHEM REV, V55, P622
[26] Determination of 31P,31P coupling constants in cyclotriphosphazenes and their influence on 1H and 13C NMR spectra of phosphorus substituents
Vicente, V
Fruchier, A
Cristau, HJ
[J]. MAGNETIC RESONANCE IN CHEMISTRY, 2003, 41 (03) : 183 - 192
[27] VICENTE V, 2002, THESIS MONTPELLIER
[28] 31P NMR analysis of cyclotriphosphazenes
Wu, HS
Meng, SS
[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 1998, 37 (02) : 675 - 683

← 1 2 3 →