Influence of the Ligand on the Coupling between the Metal-Based Electrons in Face-Shared [M 2 X 9 ] 3- (M = Mo, W; X = F, Cl, Br, I Systems
Date
2003
Authors
Cavigliasso, German
Stranger, Robert
Journal Title
Journal ISSN
Volume Title
Publisher
American Chemical Society
Abstract
Orbital overlap and spin polarization effects in Mo and W [M 2X9]3- halide and in [M 2X′3X″6]3- mixed-halide systems have been investigated by means of density-functional calculations performed on the S = 0, S = 3, and reference states of these specie
Description
Keywords
Keywords: bromine; chlorine; fluoride; halide; iodine; ligand; molybdenum; tungsten; article; binding affinity; binding kinetics; calculation; correlation analysis; electron transport; energy; metal binding; molecular interaction; polarization; structure analysis;
Citation
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Source
Inorganic Chemistry
Type
Journal article