V. N. Nemykin, A. E. Polshina, E. V. Polshin, N. Kobayashi, “First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes”, Mendeleev Commun., 10:2 (2000), 54

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Mendeleev Communications, 2000, Volume 10, Issue 2, Pages 54–56
DOI: https://doi.org/10.1070/MC2000v010n02ABEH001207 (Mi mendc4378)

This article is cited in 2 scientific papers (total in 2 papers)

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

V. N. Nemykin^a, A. E. Polshina^b, E. V. Polshin^c, N. Kobayashi^d

^a V.I. Vernadsky Institute of General and Inorganic Chemistry, National Academy of Sciences of Ukraine, Kiev, Ukraine
^b Institute of Sorption and Endoecological Problems, National Academy of Siences of Ukraine, Kiev, Ukraine
^c Institute of Geochemistry, Mineralogy and Ore Formation, Kiev, Ukraine
^d Department of Chemistry, Graduate School of Science, Tohoku University, Sendai, Japan

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DOI: https://doi.org/10.1070/MC2000v010n02ABEH001207

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.

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Document Type: Article

Language: English

Citation: V. N. Nemykin, A. E. Polshina, E. V. Polshin, N. Kobayashi, “First direct calculation of the partial quadrupole splitting of ligands for the prediction of Mössbauer spectra parameters in low-spin iron(II) complexes”, Mendeleev Commun., 10:2 (2000), 54–56

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