ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Quantum chemical study of the reactivity in anionic polymerization. III. Study on initiation reactions

S. Miertuš, O. Kyseľ, and P. Májek

Polymer Institute, Slovak Academy of Sciences, 809 34 Bratislava

Abstract:  The possible course of initiation reactions of anionic polymerization for radical anions of benzophenone and 2,2'-bipyridyl as initiators and for acrylonitrile, styrene, and 4-vinylpyridine as polymerizing monomers were discussed by quantum chemical calculation in the π approximation. Calcula­tions showed that the equilibrium of these reactions is greatly affected by solvation. Calculations indicate that the initiation can proceed only in the case of acrylonitrile (and partially in the case of 4-vinylpyridine) and 2,2'-bipyridyl ought to be the more effective initiator than benzophenone.

Full paper in Portable Document Format: 332a153.pdf

Chemical Papers 33 (2) 153–159 (1979)