Acta Chimica Sinica ›› 1994, Vol. 52 ›› Issue (8): 740-744. Previous Articles     Next Articles

Original Articles

硅甲基硼烯异构化反应机理研究所

孙华斌;刘成卜;丁世良;邓从豪   

  1. 中国人民解放军济南军区后勤部军事医学研究;山东大学化学院理论化学研究室
  • 发布日期:1994-08-15

Theoretical study of the isomerizations of singlet and triplet silyl borene

SUN HUABIN;LIU CHENGBU;DIN SHILIAN;DENG CONGHAO   

  • Published:1994-08-15

The isomerizations of singlet and triplet silylborane(1) (SiH3B) have been studied by means of theor. method of quantum chem. The optimized geometries of the transition states and the electron structures of related species have been obtained. The factors controlling these isomerizations have been discussed.

Key words: REACTION MECHANISM, ELECTRONIC STRUCTURE, AB INITIO CALCULATION, ISOMERIZATION

CLC Number: