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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 22, Number 5
JKCSEZ 22(5)
October 20, 1978 

Calculation of the Dipole Moment for Octahedral [Co(Ⅲ)-O3N3], Tetrahedral [M(Ⅱ)-O2N2] and Square Planar [M(Ⅱ)-O2N2] Type Complexes [M(Ⅱ) = Ni(Ⅱ) or Cu(Ⅱ)]

정팔면체 [Co(Ⅲ)-O3N3], 정사면체 [M(Ⅱ)-O2N2] 및 정사각형 [M(Ⅱ)-O2N2] 형태 착물의 쌍극자모멘트의 계산 [M(Ⅱ) = Ni(Ⅱ) 또는 Cu(Ⅱ)]
Sangwoon Ahn

정팔면체[Co(Ⅲ)-O3N3], 정사면체[M(Ⅱ)-O2N2] 및 정사각형형[M(Ⅱ)-O2N2]형태 착물의 쌍극자모멘트를 중심이온의 valence basis sets와 리간드의 single basis 궤도함수(2Pz)를 사용하여 spherical harmonics의 전개방법에 의하여 계산하였다. 이들 착물에 대하여 계산한 쌍극자모멘트의 값이 실험치와 일치하였다.

The dipole moments for octahedral [Co(Ⅲ)-O3N3], tetrahedral [M(Ⅱ)-O2N2] and square planar [M(Ⅱ)-O2N2] types complexes are calculated by the expansion method for spherical harmonics using the valence basis sets for the central metal ion and the single basis set orbital (2pz) for ligands. The calculated dipole moments for these complexes are in agreement with the experimental values.

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