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International Journal of Modern Physics and Application

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Calculation of [g] Tensor of 3d⁹ Complexes on the Basis of Molecular Orbital Theory

International Journal of Modern Physics and Application
Vol.5 , No. 2, Publication Date: May 9, 2018, Page: 11-14

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Authors

[1]	Ram Kripal, EPR Laboratory, Department of Physics, University of Allahabad, Allahabad, India.
[2]	Awadhesh Kumar Yadav, EPR Laboratory, Department of Physics, University of Allahabad, Allahabad, India.

Abstract

Using molecular orbital approach, the third-order contribution tensor [G] has been calculated for the better knowledge of the [g] tensor of D_4h complexes formed with d⁹ ions. The results have been applied to the analysis of the [g] tensor of different D_4h complexes, including the second-order contribution tensor [δg] coming out from the B₂₉ and E_g bonding levels. The numerical values of G_II, δg_ll and G_┴, δg_┴ indicate that, none of these tensors is negligible.

Keywords

Electron Paramagnetic Resonance, Optical Study, Molecular Orbital Coefficient

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