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1989•Molecular Crystals and Liquid Crystals Incorporating Nonlinear OpticsRequires access

Orthogonality of the Magnetic Orbitals and Ferromagnetic Interaction

Olivier Kahn, Pei Zhi Yu, Yves Journaux

Open publisher page 9 citations

Abstract

The strict orthogonality of the magnetic orbitals favors the ferromagnetic interaction. The basic idea of this strategy are recalled and three examples are presented. The first one concerns a copper(II)-orthosemiquinone entity, the second one a copper(?)-vanadyl(?) complex and the third one a Cr(I?)Ni(?)3 tetranuclear species. In each case, the ground state has the highest spin mutiplicity. The status of the orthogonality concept is investigated through an ab-initio calculation dealing with the Cu(II)VO(II) compound.

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What this paper is about

The strict orthogonality of the magnetic orbitals favors the ferromagnetic interaction. The basic idea of this strategy are recalled and three examples are presented. The first one concerns a copper(II)-orthosemiquinone entity, the second one a copper(?)-vanadyl(?) complex and the third one a Cr(I?)Ni(?)3 tetranuclear species. In each case, the ground state has the highest spin mutiplicity. The status of the orthogonality concept is investigated through an ab-initio calculation dealing with the Cu(II)VO(II) compound.

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Available abstract

The strict orthogonality of the magnetic orbitals favors the ferromagnetic interaction. The basic idea of this strategy are recalled and three examples are presented. The first one concerns a copper(II)-orthosemiquinone entity, the second one a copper(?)-vanadyl(?) complex and the third one a Cr(I?)Ni(?)3 tetranuclear species. In each case, the ground state has the highest spin mutiplicity. The status of the orthogonality concept is investigated through an ab-initio calculation dealing with the Cu(II)VO(II) compound.

Key concepts: Orthogonality, Ferromagnetism, Atomic orbital, Copper, Ab initio, Spin (aerodynamics), Ground state, Condensed matter physics

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