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

5 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.}",

note = "Funding Information: Financial support of US Civilian Research and Development Foundation-CRDF (Award MP2-3022), National Science Foundation Nanoscale Science and Engineering NIRT Grant (DMR-0103455) and Supreme Council on Science and Technological Development of Moldova (grant 111) is highly appreciated. B. S. Ts. thanks the Spanish Ministerio de Educaci{\'o}n, Cultura y Deporte for a visiting Professor grant.",

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T2 - An Adiabatic Pseudo-Jahn-Teller Problem

AU - Dunbar, Kim R.

AU - Schelter, Eric J.

AU - Tsukerblat, Boris S.

AU - Palii, Andrei V.

AU - Ostrovsky, Sergei M.

AU - Mirovitskii, Vadim Yu

AU - Klokishner, Sophia I.

N1 - Funding Information: Financial support of US Civilian Research and Development Foundation-CRDF (Award MP2-3022), National Science Foundation Nanoscale Science and Engineering NIRT Grant (DMR-0103455) and Supreme Council on Science and Technological Development of Moldova (grant 111) is highly appreciated. B. S. Ts. thanks the Spanish Ministerio de Educación, Cultura y Deporte for a visiting Professor grant.

PY - 2003/1/1

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N2 - 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.

AB - 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.

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