Ligand dissociation accelerated by spin state change:: locating the minimum energy crossing point for phosphine exchange in CpMoCl2(PR3)2 complexes

被引：55

作者：

Smith, KM

Poli, R

Harvey, JN

机构：

[1] Univ Bourgogne, Fac Sci, Lab Synth & Electrosynth Organomet, F-21100 Dijon, France

[2] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England

来源：

NEW JOURNAL OF CHEMISTRY | 2000年 / 24卷 / 02期

关键词：

D O I：

10.1039/a909646i

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The minimum energy crossing point between the doublet and quartet potential energy surfaces of CpMoCl2(PH3)(2) is calculated to lie 4.8 kcal mol(-1) lower in energy than the doublet dissociative intermediate CpMoCl2(PH3). Implications for the influence of spin state changes on the rates of organometallic reactions are discussed.

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页码：77 / 80

页数：4

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