Эта публикация цитируется в 1 статье

Communications

Random polymer formation in copolymerization of ʟ-lactide and ε-caprolactone initiated by aluminum pyridine-bis(phenolate): a quantum chemical study

M. V. Zabalov^ab, B. N. Mankaev^bc, M. P. Egorov^b, S. S. Karlov<sup>bc

a</sup> N. N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 119991 Moscow, Russian Federation
^b N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation
^c Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation

Аннотация: The ring-opening homo- and copolymerization of ε-caprolactone (CL) and ʟ-lactide (LA) using an aluminum complex with 2,2'-di-tert-butyl-6,6'-(pyridine-2,6-diyl)diphenolate and methoxide ligands as initiator was investigated by means of density functional theory (DFT) calculations. The initial stages of CL and LA polymerization as well as the first propagation stages were analyzed in detail and the activation barriers of the reactions were compared. The lowest activation barriers were found for the alternate addition of monomers, which resulted in the formation of a random copolymer as a product.

Ключевые слова: ring-opening polymerization, copolymerization, aluminum complexes, L-lactide, biodegradable polymers, ε -caprolactone, DFT calculations, initiators.

Поступила в редакцию: 15.11.2024
Принята в печать: 26.02.2025

Язык публикации: английский

DOI: 10.71267/mencom.7685

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