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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 23, Number 2
JKCSEZ 23(2)
April 20, 1979 

 
Title
The Effect of the Ligand's Spin-Orbit Coupling on the Zero-Field Splitting in the Low Spin Octahedral Ti(Ⅲ), V(Ⅲ), Fe(Ⅲ) and Ni(Ⅱ) Complexes

리간드의 Spin-Orbit Coupling이 작은 스핀팔면체 Ti(Ⅲ), V(Ⅲ), Fe(Ⅲ) 및 Ni(Ⅱ) 착물의 Zero-Field Splitting에 미치는 영향
Author
Sangwoon Ahn, Kee Hag Lee

안상운, 이기학
Keywords
Abstract
팔면체 [Ti(Ⅲ)A3B3], [V(Ⅲ)A3B3], [Fe(Ⅲ)A3B3] 및 [Ni(Ⅱ)A3B3] 형태 착물의 바닥상태에 대한 리간드 궤도함수의 spin-orbit coupling의 영향을 고찰하여 보았다. 리간드 궤도함수의 spin-orbit coupling이 바닥상태의 파동함수에는 영향을 주지 않았으나 에너지 준위의 분열에는 영향을 주었으며, 그 크기는 Ti(Ⅲ) > V(Ⅲ) > Fe(Ⅲ)의 순서로 감소하였다.

An effect of the spin-orbit coupling interaction of ligand orbitals on the ground state for octahedral [Ti(Ⅲ)A3B3], [V(Ⅲ)A3B3], [Fe(Ⅲ)A3B3] and [Ni(Ⅱ)A3B3] type complexes has been investigated in this work, applying the degenerate perturbation theory. The wave functions are not affected but the energy level splitting for the ground state of these complexes by the spin-orbit coupling interaction of ligand orbitals. The extent of effect on the energy level splitting for the ground state is decreased in order Ti(Ⅲ) > V(Ⅲ) > Fe(Ⅲ).

Page
65 - 74
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