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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 2, Number 3
BKCSDE 2(3)
March 20, 1981 

 
Title
Calculation of the Dipole Moments for Transition Metal Complexes by the Valence Bond Method (Ⅱ). Calculation of the Dipole Moments for Square Planar and Tetrahedral [M (Ⅱ) N2Se2] Type Complexes [M (Ⅱ) = Co (Ⅱ), Ni (Ⅱ) or Zn (Ⅱ)]
Author
Sangwoon Ahn, Eusuh Park, Kee Hag Lee
Keywords
Abstract
A calculation method of the dipole moments for square planar and tetrahedral complexes by the valence bond method has been developed and an example calculation was carried out choosing the square planar and tetrahedral [M(Ⅱ)N2Se2] type complexes. The calculated values of the dipole moments by the valence bond method are higher than those of the approximate orbital method. We found that we may predict the geometric structure of the transition metal complexes comparing the calculated values of the dipole moments with the experimental values. A new method for definition of C' parameter has also developed on the basis of extended Huckel theory.
Page
79 - 82
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