팔면체 [M(Ⅲ)$A_3B_3$] 형태 착물의 쌍극자모멘트에 대한 ${\pi}$ 결합의 영향 [M(Ⅲ) = Ti(Ⅲ), V(Ⅲ), Cr(Ⅲ), Fe(Ⅲ) 및 Ni(Ⅱ) ; A = O 또는 N ; B = N, S 또는 Cl] = The Effect of ${\pi}$ Bonds on the Dipole Moments for Octahedral [M(Ⅲ)$A_3B_3$] Type Complexes [M(Ⅲ) = Ti(Ⅲ), V(Ⅲ), Cr(Ⅲ), Co(Ⅲ) and Ni(Ⅱ) ; A = O or N; B = N, Cl or S]

다국어 초록 (Multilingual Abstract)

A method for calculation of the contribution of $\pi$ bonding molecular orbitals to the dipole moments for octahedral [M(III)$A_3B_3$] type complexes has been developed [M(III) = Ti(III), V(III), Cr(III), Fe(III) or Co(III); A = O or N; B = N, S or Cl]. The contribution of ${\pi}$ bonding molecular orbitals to the dipole moments is found to be smaller than that of ${\sigma}$ bonding molecular orbitals but this contribution may not be negligible even for chelate complexes in which delocalization of ${\pi}$ electron is assumed. The calculated dipole moments (u = $u_{\sigma}$ + $u_{\pi}$) are closer to the experimental values than those for the case where only ${\sigma}$ bonds are assumed to be formed.