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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 39, 1980 - Issue 6
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Original Articles

Proton ENDOR of VO(H2O)52+ in Mg(NH4)2(SO4)2)26H2O

N.M. Atherton Department of Chemistry, The University, Sheffield, S3 7HF, England
&
J.F. Shackleton Department of Chemistry, The University, Sheffield, S3 7HF, England
Pages 1471-1485 | Received 18 Oct 1979, Published online: 23 Aug 2006
 
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Abstract

ENDOR measurements at 25 K have been used to determine the hyperfine coupling tensors for all ten protons in the VO(H2O)5 2+ ion in single crystals of Mg(NH4)2(SO4)26H2O. The traceless components of all the tensors are close to axial and their use in a point dipole treatment enables a very plausible geometrical model of the complex ion to be constructed. Six of the protons in the equatorial water molecules have substantial positive isotropic couplings and it is suggested that these reflect the direct admixture of hydrogen 1s components into the singly occupied orbital.

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Related Research Data

Molecular modelling studies of N-salicylideneamino acidato complexes of oxovanadium(IV). Molecular and crystal structure of a new dinuclear LOVIV–O–VVOL mixed valence complex
Source: Royal Society of Chemistry (RSC)
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