On the Tautomerism of Secondary Phosphane Oxides

被引：102

作者：

Christiansen, Andrea ^{[1
,2
]}

Li, Chuanzhao ^{[3
]}

Garland, Marc ^{[3
]}

Selent, Detlef ^{[1
]}

Ludwig, Ralf ^{[4
]}

Spannenberg, Anke ^{[1
]}

Baumann, Wolfgang ^{[1
]}

Franke, Robert ^{[2
]}

Boerner, Armin ^{[1
,4
]}

机构：

[1] Univ Rostock eV, Leibniz Inst Katalyse, D-18059 Rostock, Germany

[2] Evonik Oxeno GmbH, D-45772 Marl, Germany

[3] Inst Chem & Engn Sci, Singapore 627833, Singapore

[4] Univ Rostock, Inst Chem, D-18059 Rostock, Germany

来源：

EUROPEAN JOURNAL OF ORGANIC CHEMISTRY | 2010年 / 2010卷 / 14期

关键词：

Phosphorus; Tautomerism; NMR spectroscopy; IR spectroscopy; DENSITY-FUNCTIONAL THERMOCHEMISTRY; ENTROPY MINIMIZATION BTEM; PHOSPHORUS-COMPOUNDS; BICYCLIC ALKENES; ACID; EXCHANGE; PRELIGANDS; COMPLEXES; CATALYSIS;

D O I：

10.1002/ejoc.201000037

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The tautomeric behaviour of five secondary phosphane oxides (SPOs) with different electronic properties has been investigated by NMR and IR spectroscopy, density functional theory calculations and X-ray structural analysis. Proof is given that only with strong electron-withdrawing groups on the phosphorus atom can the relevant trivalent phosphinous acid be observed in the equilibrium, whereas in the case of electron-rich phosphane oxides the pentavalent species dominates. For a detailed analysis of the IR spectra, the de-convolution programme BTEM has been successfully applied.

引用

页码：2733 / 2741

页数：9

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