A surface site as polydentate ligand of a metal complex:: Density functional studies of rhenium subcarbonyls supported on magnesium oxide

被引:47
作者
Hu, AG [1 ]
Neyman, KM [1 ]
Staufer, M [1 ]
Belling, T [1 ]
Gates, BC [1 ]
Rösch, N [1 ]
机构
[1] Tech Univ Munich, Lehrstuhl Theoret Chem, D-85747 Garching, Germany
关键词
D O I
10.1021/ja990083n
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:4522 / 4523
页数:2
相关论文
共 20 条
[1]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[2]  
BELLING T, 1998, PROGRAM PARAGAUSS 1
[3]  
BENZAID D, 1989, GMELIN HDB INORGANIC, P27
[4]   Control of dispersion of Ni2+ ions via chelate ligands in the preparation of Ni/SiO2 materials.: A XAFS study [J].
Carriat, JY ;
Che, M ;
Kermarec, M ;
Verdaguer, M ;
Michalowicz, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (09) :2059-2070
[5]   Thermochemistry of oxygen atom transfer from Cp*ReO3 [J].
Gable, KP ;
Juliette, JJJ ;
Li, CB ;
Nolan, SP .
ORGANOMETALLICS, 1996, 15 (24) :5250-5251
[6]  
Gates B. C, 1992, CATALYTIC CHEM
[7]  
GISDAKIS P, IN PRESS
[9]   SURFACE CATALYTIC SITES PREPARED FROM [HRE(CO)5] AND [H3RE3(CO)12] - MONONUCLEAR, TRINUCLEAR, AND METALLIC RHENIUM CATALYSTS SUPPORTED ON MGO [J].
KIRLIN, PS ;
VANZON, FBM ;
KONINGSBERGER, DC ;
GATES, BC .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (22) :8439-8450
[10]   Structure of a mononuclear rhenium catalyst supported on MgO: An ab initio study [J].
Marquez, AM ;
Sanz, JF .
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 1997, 119 (1-3) :195-200