Journal of the Korean Chemical Society (대한화학회지)

Korean Chemical Society (대한화학회)
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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

  • Ahn Sangwoon (Department of Chemistry, Jeonbug National University) ;
  • Lee Kee Hag (Department of Chemistry, Jeonbug National University)
  • 안상운 (전북대학교 문리과대학 화학과) ;
  • 이기학 (전북대학교 문리과대학 화학과)
  • Published : 1979.04.30
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Abstract

An effect of the spin-orbit coupling interaction of ligand orbitals on the ground state for octahedral $[Ti(Ⅲ)A_3B_3]$, $ [V(Ⅲ)A_3B_3]$, $ [Fe(Ⅲ)A_3B_3]$ and $ [Ni(Ⅱ)A_3B_3]$ 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).

팔면체$ [Ti(Ⅲ)A_3B_3]$, $ [V(Ⅲ)A_3B_3]$, $ [Fe(Ⅲ)A_3B_3]$ 및 $ [Ni(Ⅱ)A_3B_3]$ 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

Keywords

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