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

Victor N. Nemykin, Anna E. Polshina, Ernst V. Polshin, Nagao Kobayashi

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)54-55
Number of pages2
JournalMendeleev Communications
Volume10
Issue number2
DOIs
Publication statusPublished - 2000

ASJC Scopus subject areas

  • Chemistry(all)

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