고리형 아세탈류의 중합반응의 메카니즘에 관한 연구
A study on the polymerization mechanism of cyclic acetals
광주보건전문대학논문집 1995년 20권 1호 p.163 ~ 177
소속 상세정보
정만태/Jung MT
KMID : 0615219950200010163
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.
키워드
원문 및 링크아웃 정보
등재저널 정보