Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Calculation of the Dipole Moments for the Coordination Compounds with Organic Ligands such as $(C_2H_5)_2SO,\;(C_6H_5)_2SO,\;(C_6H_5)_2SeO,\;(C_6H_5)_3AsO,\;(C_6H_5)_3PBCl_3,\;and\;(C_2H_5)_2OZrCl_4$

  • Ahn, Sang-Woon (Department of Chemistry, Jeonbug National University) ;
  • Kim, Hyung-Doo (Department of Chemistry, Jeonbug National University) ;
  • Park, Eui-Suh (Department of Chemistry, Jeonbug National University)
  • Published : 1986.04.20
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Abstract

The dipole moments for some coordination compounds with organic ligands have been calculated adopting the molecuar orbitals obtained from EHT calculation with modified technique. Adopting the molecular orbitals with the modified technique, the calculated dipole moments for all the coordination compounds with organic ligands give closer agreements with experimental values than those using the molecular orbitals obtained from EHT calculation. The calculated dipole moments suggest that $(C_2H_5)_2SO,\;(C_6H_5)_2SO,\;and\;(C_6H_5)_2SeO$ may have a trigonal planar structure and $(C_6H_5)_3AsO,\;and\;(C_6H_5)_3PBCl_3$ a square planar structure and $(C_2H_5)_2OZrCl_4$ may be distorted markedly. This work may also indicate that the modified technique is superior to the EHT calculation as far as the dipole moment calculation is concerned.

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