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The g values of some halomolybdenyl, -vanadyl, and -chromyl complexes
1Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, China.
Abstract:
The principal g values of a series of [MOXn]m- (M = VIV, CrV, MoV; X = F-, Cl-, Br-; n = 4, 5; m = 1, 2, 3) complexes are calculated by the INDO-CI-Stone method. The results agree well with the experimental data and reveal that the traditional models have some limitations in calculating g values for some complexes of this type.
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