Development of MagSaki Software for Magnetic Analysis of Dinuclear High-spin Cobalt(II) Complexes in an Axially Distorted Octahedral Field

Hiroshi SAKIYAMA

Department of Material and Biological Chemistry, Faculty of Science, Yamagata University
Kojirakawa 1-4-12, Yamagata 990-8560, Japan
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(Received: March 26, 2001; Accepted for publication: May 7, 2001; Published on Web: June 5, 2001)

MagSaki software was developed for the magnetic analysis of dinuclear high-spin cobalt(II) complexes. This software performs magnetic analysis to determine magnetic parameters using several types of theoretical calculations, such as the following: (1) a mononuclear complex in an isotropic octahedral field, (2) a mononuclear complex in an axially distorted octahedral field, (3) a dinuclear complex in an isotropic octahedral field, (4) a dinuclear complex in an axially distorted octahedral field and (5) a mono- and dinuclear complex in an isotropic tetrahedral field. The calculation for the axially distorted dinuclear case is based specifically on a new theoretical method that we reported, and the MagSaki software is the first of its kind that evaluates the exchange couping in an axially distorted octahedral field.

Keywords: Magnetism, High-spin cobalt(II), Axial symmetry, Exchange Coupling, MagSaki


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