Issue 2, 2000

First direct calculation of the partial quadrupole splitting of ligands for the prediction of Moessbauer spectra parameters in low-spin iron(II) complexes

Abstract

A semi-empirical quantum mechanics method and a cone angle conception were used to factorise partial quadrupole splitting parameters for different ligands in axially coordinated macrocyclic complexes.

Article information

Article type
Paper

Mendeleev Commun., 2000,10, 54-56

First direct calculation of the partial quadrupole splitting of ligands for the prediction of Moessbauer spectra parameters in low-spin iron(II) complexes

V. N. Nemykin, A. E. Polshina, E. V. Polshin and N. Kobayashi, Mendeleev Commun., 2000, 10, 54 DOI: 10.1070/MC2000v010n02ABEH001207

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