Bulletin of the Korean Chemical Society

  • 제9권3호
  • /
  • Pages.121-126
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  • 1988
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  • 0253-2964(pISSN)
  • /
  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
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Bonding and Electronic Considerations in the Apex Bridged $M_2(OR)_6L_x(\mu-X)$ Complexes (M = Mo ; R = -t-Bu, -i-Pr ; L = Py ; x = 0 or 2 ; X = CO, SO$_2$, HCCH, H, and Cl)

  • Ko, Jae-Jung (Department of Chemical Education, Korea National University of Education)
  • 발행 : 1988.06.20
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초록

The molecular interaction of $Mo_2(OR)_4({\mu}-OR)_2$$ unit has been studied for carbonyl and acetylene ligands by means of extended Huckel calculations. We have extended the extended Hckel calculations to unknown apex bridged $Mo_2(OR)_6({\mu}-X)$ complexes (X = $SO_2$H, and Cl) in order to compare the stability of the complexes. In the $C_2H_2$and H apex bridged complexes, one finds a relatively small HOMO-LUMO gap. However, both complexes are stabilized due to Jahn-Teller distortion. The stability of both complexes is comparable to that of $Mo_2(OR)_6(CO)$ complex. The comparisons and predictions in the stability of known and unknown complexes are the subject of this study.

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참고문헌

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