Acta Chimica Sinica ›› 1987, Vol. 45 ›› Issue (11): 1061-1066. Previous Articles     Next Articles

Original Articles

1,3-双亲性负离子与BH3配位的量子化学研究

江德林;于建国;杨草仙;刘若庄   

  1. 河北师范学院化学系;北京师范大学化学系;兰州大学化学系;北京师范大学化学系
  • 发布日期:1987-11-15

Quantum chemical study on complex between BH3 and 1,3-ambident anion

JIANG DELIN;YU JIANGUO;JIE CAOXIAN;LIU RUOZHUANG   

  • Published:1987-11-15

The complexes formed between BH3 and 1,3-ambident anions ([CH2CHO]-, [CH2CHNH]-) have been studied by the MNDO SCF method. The heat of the reaction depended on the nature of the complexing atoms. The 1-carbon-BH3 complex is more stable than 3-oxygen-BH3 or 3-nitrogen-BH3 complexes. The order of complexing action is different from that of electrostatic interaction, but is the same as the order of covalent interaction.

Key words: QUANTUM CHEMISTRY, ELECTRON TRANSFER, ANION, FORMATION HEAT, BORANES, MOLECULAR ORBITAL THEORY, SELF-CONSISTENT FIELD, COORDINATE CHEMISTRY, LIGAND FIELD THEORY, SEMIEMPIRICAL EQUATIONS

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