The electronic structure of CrO3+ and MoO3+ complexes |
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| Authors: | CDavid Garner Ian H Hillier Frank E Mabbs Martyn F Guest |
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| Institution: | Chemistry Department, The University of Manchester, Manchester M13 9PL, UK;S.R.C. Atlas Computer Laboratory, Chilton, Didcot, Berkshire OX11 0QY, UK |
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| Abstract: | The results of ab initio molecular orbital calculations for CrOfs]2? and polarised single crystal electronic spectra of MoOCl3(Op(NMe2)3)2] and Ph4AsMoOCl4(H2O)] are presented. These data are consistent with the electronic transitions of the MO3+ moieties, O2pπ → Mdxy and Mdxy → Mddxy,dyz being the lowest energy transitions in the spectra of their respective complexes, both these transitions being of low intensity. |
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