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Chem. J. Chinese Universities ›› 1987, Vol. 8 ›› Issue (10): 932.

• Articles • Previous Articles     Next Articles

Quantum Chemical Study of Complexes Between Some Nitriles and BH3

Jiang Delin1, Jie Caoxian2, Yu Jianguo3, Liu Ruozbuang3   

  1. 1. Depart. of Chemistry, Hebei Teacher College, Shijiazhuang;
    2. Depart, of Chemistry, Lanzhou University, Lanzhou;
    3. Depart, of Chemistry, Beijing Normal University, Beijing
  • Received:1986-04-15 Online:1987-10-24 Published:1987-10-24

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Abstract: The effect of substituted group, the rule of complexing action between nitri-les and BH3, the comparison of donor's soft end-BH3complex with donor's Hard end-BH3complex have been studied by MNDO scheme of SCF method with AO as basis sets, and with MO of the isolated molecules as basis sets. The results showed that the relative order of complexing action mainly depends on the order of covalent interaction, rather than electrostatic interaction.

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