The reactions of hexafluorocyclotriphosphazene with sodium phenoxide

被引：14

作者：

Freund, AS ^{[1
]}

Calichman, M ^{[1
]}

Allen, CW ^{[1
]}

机构：

[1] Univ Vermont, Dept Chem, Burlington, VT 05405 USA

来源：

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2004年 / 630卷 / 12期

关键词：

fluorocyclotriphosphazenes; phosphazene; NMR (F-19); spectroscopy; DFT calculations;

D O I：

10.1002/zaac.200400310

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The reaction of N3P3F6 (2) with NaOPh led to the phenoxyfluorocyclotriphosphazenes N3P3(OPh), F6-n (n = 1(3), 2(4), 3(5)). Structures were assigned using P-31 decoupled F-19 NMR spectroscopy. The reaction followed a non-geminal pathway with a 50.7: 49.3 cis:trans ratio for 4 and a 28.6:71.4 cis:trans ratio for 5.Comparisons to the analogous reaction of N3P3Cl6 (1) were facilitated by DFT calculations on N3P3(OPh)X-5 (X = F, Cl) which show that the NBO charges on the phenyl group are invariant with respect to the identity of the phosphazene. These observations have been correlated to mechanistic models for cyclophosphazene substitution reactions.

引用

页码：2059 / 2062

页数：4

共 26 条

[1] LINEAR, CYCLIC AND POLYMERIC PHOSPHAZENES [J].