Effects of the vibronic interaction on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel

V. V. Saraev; A. Yu Yunda; P. B. Kraikivskii; K. Lammertsma

doi:10.1007/s10947-006-0394-5

Effects of the vibronic interaction on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel

V. V. Saraev, A. Yu Yunda, P. B. Kraikivskii, K. Lammertsma

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Abstract

Vibronic interaction effects on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel have been investigated. Analytical expressions in the first order of the perturbation theory were obtained for wave functions of the ground and excited doubly degenerate states having taken into account vibronic and spin-orbital interactions. Based on the assumption that the vibronic interaction prevails over spin-orbital, there were obtained the expressions for main components of the g-tensor and isotropic HFS constants with ligand cores which are consistent with experimental data for three-coordinate complexes of the composition [Ni(PPh₃) ₃]BF₄ and [Ni(PCy₃)₃]BF₄.

Original language	English
Pages (from-to)	801-807
Number of pages	7
Journal	Journal of Structural Chemistry
Volume	47
Issue number	5
DOIs	https://doi.org/10.1007/s10947-006-0394-5
Publication status	Published - Sept 2006
Externally published	Yes

Keywords

ESR
Jahn-Teller effect
Three-coordinate structures

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1007/s10947-006-0394-5

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title = "Effects of the vibronic interaction on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel",

abstract = "Vibronic interaction effects on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel have been investigated. Analytical expressions in the first order of the perturbation theory were obtained for wave functions of the ground and excited doubly degenerate states having taken into account vibronic and spin-orbital interactions. Based on the assumption that the vibronic interaction prevails over spin-orbital, there were obtained the expressions for main components of the g-tensor and isotropic HFS constants with ligand cores which are consistent with experimental data for three-coordinate complexes of the composition [Ni(PPh3) 3]BF4 and [Ni(PCy3)3]BF4.",

keywords = "ESR, Jahn-Teller effect, Three-coordinate structures",

author = "Saraev, {V. V.} and Yunda, {A. Yu} and Kraikivskii, {P. B.} and K. Lammertsma",

year = "2006",

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T1 - Effects of the vibronic interaction on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel

AU - Saraev, V. V.

AU - Yunda, A. Yu

AU - Kraikivskii, P. B.

AU - Lammertsma, K.

PY - 2006/9

Y1 - 2006/9

N2 - Vibronic interaction effects on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel have been investigated. Analytical expressions in the first order of the perturbation theory were obtained for wave functions of the ground and excited doubly degenerate states having taken into account vibronic and spin-orbital interactions. Based on the assumption that the vibronic interaction prevails over spin-orbital, there were obtained the expressions for main components of the g-tensor and isotropic HFS constants with ligand cores which are consistent with experimental data for three-coordinate complexes of the composition [Ni(PPh3) 3]BF4 and [Ni(PCy3)3]BF4.

AB - Vibronic interaction effects on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel have been investigated. Analytical expressions in the first order of the perturbation theory were obtained for wave functions of the ground and excited doubly degenerate states having taken into account vibronic and spin-orbital interactions. Based on the assumption that the vibronic interaction prevails over spin-orbital, there were obtained the expressions for main components of the g-tensor and isotropic HFS constants with ligand cores which are consistent with experimental data for three-coordinate complexes of the composition [Ni(PPh3) 3]BF4 and [Ni(PCy3)3]BF4.

KW - ESR

KW - Jahn-Teller effect

KW - Three-coordinate structures

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DO - 10.1007/s10947-006-0394-5

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JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

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Effects of the vibronic interaction on anisotropy of ESR parameters for three-coordinate complexes of univalent nickel

Abstract

Keywords

ASJC Scopus subject areas

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