|
KMID : 0615219950200010163
|
|
Journal of Kwangju Health
1995 Volume.20 No. 1 p.163 ~ p.177
|
|
|
A study on the polymerization mechanism of cyclic acetals
|
|
정만태/Jung MT
|
|
|
Abstract
|
|
|
The cationic polymerization of cyclic acetals was investigate theoretically using the semiempirical MINDO/3. MNDO, and AM 1 methods.
The nucleophilicity and basicity of cyclic acetals can be explained by the negative charge on oxygen atom of cyclic acctals.
The reactivity of propagation in the polymerization of cyclic acetals can be represented by the positive charge on C_2 atom and the low LUMO cnergy of active species of cyclic acetals.
The reactivity of 2-pentyl-1,3,5-trioxepane(2-P_e-TOP) of cyclic oxonium and opening carbenium ion form was computational stability of favoring the carbenium ion.
Owing to the rapid equilibrium of these cation forms and the reaction coordinate based on calculation that the chain growth S_x I mechanism was at least as fast as that for S_x 2 mechanism.
|
|
|
KEYWORD
|
|
|
|
|
|
FullTexts / Linksout information
|
|
|
|
|
Listed journal information
|
|
|
|