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The roles of the first and second coordination spheres in the design of molecular catalysts for H2 production and oxidation
被引:543
作者:
DuBois, M. Rakowski
[1
]
DuBois, Daniel L.
[1
]
机构:
[1] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA
基金:
美国国家科学基金会;
关键词:
HYDRIDE DONOR ABILITIES;
TRANSITION-METAL HYDRIDES;
FE-ONLY HYDROGENASE;
AB-INITIO CALCULATIONS;
ACTIVE-SITE;
IRON(II) COMPLEXES;
BITE ANGLE;
DIPHOSPHINE LIGANDS;
DIMETHYL-SULFOXIDE;
CRYSTAL-STRUCTURE;
D O I:
10.1039/b801197b
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
This tutorial review describes the development of discrete transition metal complexes as electrocatalysts for H-2 formation and oxidation. The approach involves the study of thermodynamic properties of metal hydride intermediates and the design of ligands that incorporate proton relays. The work is inspired by structural features of the H(2)ase enzymes and should be of interest to researchers in the areas of biomimetic chemistry as well as catalyst design and hydrogen utilization.
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页码:62 / 72
页数:11
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