Ligand hyperfine interactions in molybdenyl and chromyl halide complexes

Manoharan, P. T. ; Rogers, Max T. (1968) Ligand hyperfine interactions in molybdenyl and chromyl halide complexes Journal of Chemical Physics, 49 (12). p. 5510. ISSN 00219606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v49/i12/p5510...

Related URL: http://dx.doi.org/10.1063/1.1670079

Abstract

Ligand superhyperfine interactions due to 35,37Cl and 19F have been observed in the ESR spectra of MoOCl52−, MoOF52− and CrOF52−. The presence of both isotropic and anisotropic ligand hyperfine splittings indicates considerable covalency in these complexes. The bonding coefficients, which have been calculated with resonable accuracy, reveal moderately strong in‐plane π bonding involving the metal dxy orbital and the ligand py orbital. The spin–orbit interaction of the halide ligand is shown to be important in determining the g values. A configuration‐interaction treatment has been used to account for the spin densities in the ligand px and s orbitals. The ESR spectra show that in solutions of KCrOF4 in aqueous hydrofluoric acid two species, CrOF4 and CrOF52−, are present.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:95656
Deposited On:19 Nov 2012 10:41
Last Modified:19 Nov 2012 10:41

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