A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the CpRuCl (Cp = η5-C5Me5) moiety:: Insight into stereoelectronic differences between unsaturated and saturated NHC ligands

被引：380

作者：

Hillier, AC

Sommer, WJ

Yong, BS

Petersen, JL

Cavallo, L

Nolan, SP ^{[1
]}

机构：

[1] Univ New Orleans, Dept Chem, New Orleans, LA 70146 USA

[2] W Virginia Univ, Dept Chem, Morgantown, WV 26506 USA

[3] Univ Salerno, Dipartimento Chim, I-84081 Baronissi, SA, Italy

来源：

ORGANOMETALLICS | 2003年 / 22卷 / 21期

关键词：

D O I：

10.1021/om034016k

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Combined solution calorimetric and quantum mechanics studies of reactions involving saturated and unsaturated N-heterocyclic carbene (NHC) ligands show that the difference in their relative bond dissociation energies is very small (1 kcal.mol(-1)). Structural and computational studies reveal small metric parameter differences. These observations in conjunction with relative reactivity profiles of NHC-modified ruthenium-based olefin metathesis catalysts suggest that very small changes in the donor properties of the NHC ligands can translate into significant differences in catalytic properties.

引用

页码：4322 / 4326

页数：5

共 63 条

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A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = η5-C5Me5) moiety:: Insight into stereoelectronic differences between unsaturated and saturated NHC ligands

A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the CpRuCl (Cp = η5-C5Me5) moiety:: Insight into stereoelectronic differences between unsaturated and saturated NHC ligands