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

Kee Hag Lee; Sangwoon Ahn

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

机译：配体的自旋轨道耦合对低自旋八面体Ti（），V（），Fe（）和Ni（）络合物的零场分裂的影响

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An effect of the spin-orbit coupling interaction of ligand orbitals on the ground state for octahedral [Ti(￥2)A3B3], [V(￥2)A3B3], [Fe(￥2)A3B3] and [Ni(￥±)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(￥2) > V(￥2) > Fe(￥2).

机译：八面体[Ti（￥ 2）A3B3]，[V（￥ 2）A3B3]，[Fe（￥ 2）A3B3]和[Ni（￥±）的配体轨道的自旋轨道耦合相互作用对基态的影响）A3B3]型配合物已在本研究中应用简并扰动理论进行了研究。波函数不受影响，但通过配体轨道的自旋轨道耦合相互作用，使这些配合物的基态能级分裂。对基态能级分裂的影响程度按Ti（￥ 2）> V（￥ 2）> Fe（￥ 2）的顺序减小。

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《Journal of the Korean Chemical Society》 |1979年第2期|共页
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Kee Hag Lee; Sangwoon Ahn;
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The Effect of the Ligand's Spin-Orbit Coupling on the Zero-Field Splitting in the Low Spin Octahedral Ti(), V(), Fe() and Ni() Complexes

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