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

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

Maxim Vyacheslavovich Zabalov 1, 2
Maxim Vyacheslavovich Zabalov
, 
Badma Nikolaevich Mankaev 1, 3
Badma Nikolaevich Mankaev
, 
Mikhail Petrovich Egorov 1
Mikhail Petrovich Egorov
, 
Sergey Sergeevich Karlov 1, 3
Sergey Sergeevich Karlov
10.71267/mencom.7685
Published 2025-05-21
Communication , Volume 35, Issue 4, 399-403
1
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Zabalov M. V. et al. Random polymer formation in copolymerization of ʟ-lactide and ε-caprolactone initiated by aluminum pyridine-bis(phenolate): a quantum chemical study // Mendeleev Communications. 2025. Vol. 35. No. 4. pp. 399-403.
GOST all authors (up to 50) Copy
Zabalov M. V., Mankaev B. N., Egorov M. P., Karlov S. S. Random polymer formation in copolymerization of ʟ-lactide and ε-caprolactone initiated by aluminum pyridine-bis(phenolate): a quantum chemical study // Mendeleev Communications. 2025. Vol. 35. No. 4. pp. 399-403.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.71267/mencom.7685
UR - https://mendcomm.colab.ws/publications/10.71267/mencom.7685
TI - Random polymer formation in copolymerization of ʟ-lactide and ε-caprolactone initiated by aluminum pyridine-bis(phenolate): a quantum chemical study
T2 - Mendeleev Communications
AU - Zabalov, Maxim Vyacheslavovich
AU - Mankaev, Badma Nikolaevich
AU - Egorov, Mikhail Petrovich
AU - Karlov, Sergey Sergeevich
PY - 2025
DA - 2025/05/21
PB - Mendeleev Communications
SP - 399-403
IS - 4
VL - 35
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{2025_Zabalov,
author = {Maxim Vyacheslavovich Zabalov and Badma Nikolaevich Mankaev and Mikhail Petrovich Egorov and Sergey Sergeevich Karlov},
title = {Random polymer formation in copolymerization of ʟ-lactide and ε-caprolactone initiated by aluminum pyridine-bis(phenolate): a quantum chemical study},
journal = {Mendeleev Communications},
year = {2025},
volume = {35},
publisher = {Mendeleev Communications},
month = {May},
url = {https://mendcomm.colab.ws/publications/10.71267/mencom.7685},
number = {4},
pages = {399--403},
doi = {10.71267/mencom.7685}
}
MLA
Cite this
MLA Copy
Zabalov, Maxim Vyacheslavovich, et al. “Random polymer formation in copolymerization of ʟ-lactide and ε-caprolactone initiated by aluminum pyridine-bis(phenolate): a quantum chemical study.” Mendeleev Communications, vol. 35, no. 4, May. 2025, pp. 399-403. https://mendcomm.colab.ws/publications/10.71267/mencom.7685.

Keywords

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

Abstract

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.

Funders

Russian Science Foundation
20-13-00391