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Calculation of the Magnetic Moments for Transition Metal Complexes (Ⅱ). The Magnetic Moments for Distorted Octahedral <TEX>$[V(III)A_3B_3]$</TEX> Type Complexes and the Contribution of <TEX>$^3T_1$</TEX> Term to the Dipole Moments and Polarizability [A and B
Calculation of the Magnetic Moments for Transition Metal Complexes (Ⅱ). The Magnetic Moments for Distorted Octahedral $[V(III)A_3B_3]$ Type Complexes and the Contribution of $^3T_1$ Term to the Dipole Moments and Polarizability [A and B
Journal of the Korean Chemical Society. 1980. Aug, 24(4): 269-279
  • Published : August 30, 1980
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Ahn, Sangwoon
Oh, Se Woung
Lee, Kee Hag
Park, Eu Suh

Abstract
A method for calulation of the magnetic moments for both octahedral and distorted octahedral $[V(III)A_3B_3]$ type complexes, all with $t^2_2$ configuration, has been developed [A and B = O, Cl, N, F or Br]. The calculated magnetic moments by this method are in reasonable agreements with the experimental values. The calculated magnetic moments for distorted octahedral $[V(III)A_3B_3]$/TEX> type complexes decrease as the extent of tetragonal distortion increases.The effects of k (orbital reduction faction factor), $\xi'$/TEX> and temperature on the magnetic moments are also investigated.A new method for calculation of the contribution of $^3T_1$ molecular orbitals to the dipole moment and polarizability has also developed. The calculated contribution of $^3T_1$ molecular orbitals falls in the reasonable range of values.