Magnetic Properties of a Low Symmetry d5 Complex: An Adiabatic Pseudo-Jahn-Teller Problem

Kim R. Dunbar; Eric J. Schelter; Boris S. Tsukerblat; Andrei V. Palii; Sergei M. Ostrovsky; Vadim Yu Mirovitskii; Sophia I. Klokishner

doi:10.1016/S0065-3276(03)44027-6

Magnetic Properties of a Low Symmetry d⁵ Complex: An Adiabatic Pseudo-Jahn-Teller Problem

Kim R. Dunbar
, Eric J. Schelter
, Boris S. Tsukerblat
, Andrei V. Palii
, Sergei M. Ostrovsky
, Vadim Yu Mirovitskii
, Sophia I. Klokishner

Department of Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

6 Scopus citations

Abstract

A vibronic model for the magnetic properties of a low-spin d⁵ metal complex is reported. The splitting of the ground ²T₂-term by the strong spin-orbital interaction and the trigonal component of the crystal field as well as the covalency effects are taken into account. The pseudo-Jahn-Teller mixing of the low-lying states is also considered in the framework of the semiclassic adiabatic approximation. The influence of the named interactions on the g-tensor and on the tensor of the temperature-independent paramagnetism is elucidated.

Original language	English
Title of host publication	Advances in Quantum Chemistry
Publisher	Academic Press Inc.
Pages	413-428
Number of pages	16
ISBN (Print)	0120348446, 9780120348442
DOIs	https://doi.org/10.1016/S0065-3276(03)44027-6
State	Published - 1 Jan 2003

Publication series

Name	Advances in Quantum Chemistry
Volume	44
ISSN (Print)	0065-3276

ASJC Scopus subject areas

Physical and Theoretical Chemistry

Access to Document

10.1016/S0065-3276(03)44027-6

Cite this

Dunbar, K. R., Schelter, E. J., Tsukerblat, B. S., Palii, A. V., Ostrovsky, S. M., Mirovitskii, V. Y., & Klokishner, S. I. (2003). Magnetic Properties of a Low Symmetry d⁵ Complex: An Adiabatic Pseudo-Jahn-Teller Problem. In Advances in Quantum Chemistry (pp. 413-428). (Advances in Quantum Chemistry; Vol. 44). Academic Press Inc.. https://doi.org/10.1016/S0065-3276(03)44027-6

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title = "Magnetic Properties of a Low Symmetry d5 Complex: An Adiabatic Pseudo-Jahn-Teller Problem",

abstract = "A vibronic model for the magnetic properties of a low-spin d5 metal complex is reported. The splitting of the ground 2T2-term by the strong spin-orbital interaction and the trigonal component of the crystal field as well as the covalency effects are taken into account. The pseudo-Jahn-Teller mixing of the low-lying states is also considered in the framework of the semiclassic adiabatic approximation. The influence of the named interactions on the g-tensor and on the tensor of the temperature-independent paramagnetism is elucidated.",

author = "Dunbar, \{Kim R.\} and Schelter, \{Eric J.\} and Tsukerblat, \{Boris S.\} and Palii, \{Andrei V.\} and Ostrovsky, \{Sergei M.\} and Mirovitskii, \{Vadim Yu\} and Klokishner, \{Sophia I.\}",

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AU - Dunbar, Kim R.

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AU - Tsukerblat, Boris S.

AU - Palii, Andrei V.

AU - Ostrovsky, Sergei M.

AU - Mirovitskii, Vadim Yu

AU - Klokishner, Sophia I.

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