MECHANISM OF SYN ADDITION OF MOLECULAR FLUORINE TO ETHYLENE - AN ABINITIO MO STUDY

被引：27

作者：

IWAOKA, T

KANEKO, C

SHIGIHARA, A

ICHIKAWA, H

机构：

[1] TOHOKU COLL PHARMACEUT SCI,INST PHARMACEUT,SENDAI,MIYAGI 983,JAPAN

[2] HOSHI COLL PHARM,SHINAGAWA KU,TOKYO 142,JAPAN

来源：

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | 1993年 / 6卷 / 04期

关键词：

D O I：

10.1002/poc.610060402

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

The whole process for the syn addition of molecular fluorine to ethylene was analysed at the MP2/6-31 + G level with IRC calculation. The analysis indicates that fluorine approaches the C-C double bond vertically to form a perpendicular complex as the intermediate, which then reorientates to a rhombic-type complex as the transition state to give the final syn addition product. This shows that the square-type complex previously proposed is not involved in any stage of the reaction.

引用

页码：195 / 200

页数：6

共 26 条

[1] THE STRUCTURE OF ETHYLENE FROM INFRARED SPECTRA [J].