Current time in Korea 22:43 Nov 30 (Mon) Year 2020 KCS KCS Publications
KCS Publications
My Journal  Log In  Register
HOME > Search > Browsing(BKCS) > Archives

Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 4, Number 2
BKCSDE 4(2)
February 20, 1983 

 
Title
Determination of Reactivity by MO Theory (XXV), Theoretical Studies of ω-Alkenyl Radical Cyclization
Author
Ikchoon Lee, Bon-Su Lee, Chang Hyun Song, Chan Kyung Kim
Keywords
Abstract
Transition state structures were calculated for A and M routes of ω-alkenyl radical cyclization (n = 2∼4) using MINDO/3-RHF method. Results of our analysis of HOMO level changes indicated that the transition state stability is not controlled by the decoupling effect alone as Bischof suggested, but in greater degree it is determined by through-bond interaction of the HOMOs with the framework HO-σ or LU-σ* orbitals. In case of larger n (n > 4), the product stability was considered to be the main cause of M route dominance in the cyclization.
Page
84 - 87
Full Text
PDF