An N-heterocyclic carbene as a bidentate hemilabile ligand:: a synchrotron X-ray diffraction and density functional theory study

被引:41
作者
Dioumaev, VK
Szalda, DJ
Hanson, J
Franz, JA
Bullock, RM [1 ]
机构
[1] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA
[2] Pacific NW Natl Lab, Richland, WA 99352 USA
关键词
D O I
10.1039/b303762b
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The N-heterocyclic carbene ligand IMes was shown by synchrotron crystallography and DFT computations to adopt a hemilabile bidentate coordination mode in CpM(CO)(2)(IMes)+B(C6F5)(4)(-) (M = Mo, W), with a C=C bond of one mesityl weakly coordinated to the metal.
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页码:1670 / 1671
页数:2
相关论文
共 24 条
[1]   Looking for stable carbenes: The difficulty in starting anew [J].
Arduengo, AJ .
ACCOUNTS OF CHEMICAL RESEARCH, 1999, 32 (11) :913-921
[2]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[3]   Stable carbenes [J].
Bourissou, D ;
Guerret, O ;
Gabbaï, FP ;
Bertrand, G .
CHEMICAL REVIEWS, 2000, 100 (01) :39-91
[4]   Homogeneous catalysis with inexpensive metals: Ionic hydrogenation of ketones with molybdenum and tungsten catalysts [J].
Bullock, RM ;
Voges, MH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (50) :12594-12595
[5]   CRYSTAL AND MOLECULAR-STRUCTURES OF BROMOTRICARBONYL(PHENYLBIS(3,5-DIMETHYLPYRAZOLYL)PHOSPHINE)RHENIUM(I) AND TRICARBONYL(PHENYLBIS(3,5-DIMETHYLPYRAZOLYL)PHOSPHINE)TUNGSTEN(0) [J].
COBBLEDICK, RE ;
DOWDELL, LRJ ;
EINSTEIN, FWB ;
HOYANO, JK ;
PETERSON, LK .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1979, 57 (17) :2285-2291
[6]   C-H activation with N-heterocyclic carbene complexes of iridium and rhodium [J].
Danopoulos, AA ;
Winston, S ;
Hursthouse, MB .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 2002, (16) :3090-3091
[7]  
FRISCH MJ, GAUSSIAN 98 REVISION
[8]  
HAY PJ, 1985, J CHEM PHYS, V82, P270, DOI 10.1063/1.448799
[9]  
Herrmann WA, 2002, ANGEW CHEM INT EDIT, V41, P1290, DOI 10.1002/1521-3773(20020415)41:8<1290::AID-ANIE1290>3.0.CO
[10]  
2-Y