Acta Chimica Sinica ›› 1990, Vol. 48 ›› Issue (9): 920-926. Previous Articles     Next Articles

Original Articles

二卤卡宾和苯甲醛反应机理的理论研究 ─ ylide 中间体的结构及反应特性

潘荫明;还振威;屈小苏;贾丘克   

  1. 南开大学化学系;南开大学计算机中心
  • 发布日期:1990-09-15

The theoretical studies of the mechanism for the reaction between dihalocarbene and benzaldehyde: The structures and reaction characteristics of the ylides

PAN YINMING;HAI ZHENWEI;QU XIAOSU;JIA QIUKE   

  • Published:1990-09-15

The structures, energies, elec. charge distributions and other relevant data of all isomers of dichlorocarbonyl ylides formed from the reaction between dichlorocarbene and benzaldehyde were obtained by the SCF-MNDO method. According to the computation results, the different chem. behaviors of the isomers was studied and the mechanism of the reaction between dihalocarbene and benzaldehyde was discussed.

Key words: INTERMEDIATE, REACTION MECHANISM, ISOMER, BENZALDEHYDE, CHARGE DISTRIBUTION, SPATIAL STRUCTURE, DICHLOROCARBENE, REACTION PROPERTIES, YLIDE

CLC Number: