Quantum Chemical Study of the Mechanism of the Living Cationic Polymerization by Ester-Boron Trihaude Initiators

Autor:	V. A. Zubkov, B. L. Erussalimsky, A. V. Yakimansky
Rok vydání:	1994
Předmět:	Reaction mechanism Polymers and Plastics Chemistry Methyl acetate Cationic polymerization General Chemistry Living cationic polymerization Transition state chemistry.chemical_compound Monomer Polymerization Polymer chemistry Materials Chemistry Ceramics and Composites Ionic polymerization
Zdroj:	Journal of Macromolecular Science, Part A. 31:261-272
ISSN:	1520-5738 1060-1325
DOI:	10.1080/10601329409349732
Popis:	Semiempirical MNDO calculations of model systems simulating cationic initiating systems of the BCI3/ester type have been carried out. Interactions between BX3 (X = F, CI) and methyl acetate (MA) have been compared. Properties of six-membered cyclic transition states for the reaction between MA and propylene in the presence of BCI3, previously proposed as a mechanism of living cationic polymerization, have been investigated. An alternative mechanism of polymerization via zwitterionic complexes formed between BCI3 and monomer has been suggested. The cationic center of this zwitterionic complex has been found to be stabilized by the ester component of the initiating system.
Databáze:	OpenAIRE
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