Development of MagSaki(Tetra) Software for the Magnetic Analysis of Tetranuclear High-spin Cobalt(II) Complexes [Published online J. Comput. Chem. Jpn. Int. Ed., 2, -, by J-STAGE]

[Published online Journal of Computer Chemistry, Japan -International Edition Vol.2, -, by J-STAGE]
<Title:> Development of MagSaki(Tetra) Software for the Magnetic Analysis of Tetranuclear High-spin Cobalt(II) Complexes
<Author(s):> Hiroshi SAKIYAMA
<Corresponding author E-Mill:> saki(at)sci.kj.yamagata-u.ac.jp
<Abstract:> MagSaki(Tetra) software was developed for the purpose of analyzing the magnetic susceptibility data of tetranuclear octahedral high-spin cobalt(II) complexes. The software enables the analyses six types of tetranuclear cobalt(II) structures, including cubane and defect dicubane structures, to obtain magnetic parameters: the interaction parameters, J, J’, J”, and J”’, the spin-orbit coupling parameter, λ, the orbital reduction factor, κ, and the axial splitting parameter, Δ.
<Keywords:> Magnetic analysis, Octahedral high-spin cobalt(II) complex, Spin-orbit coupling, Ligand field, Tetranuclear cobalt(II) complex, MagSaki software series
<URL:> https://www.jstage.jst.go.jp/article/jccjie/2/0/2_2016-0001/_article