volume 32 issue 4 pages 460-463

DFT study of the role of substituents in tin(II) bis(amidoethyl)amine complexes used for ε-caprolactone polymerization

Publication typeJournal Article
Publication date2022-07-01
scimago Q3
wos Q3
SJR0.305
CiteScore3.0
Impact factor1.7
ISSN09599436, 1364551X
General Chemistry
Abstract
DFT simulations of ring-opening polymerization of ε-caprolactone in the presence of two stannylenes based on bis(2-amidoethyl)amine ligands demonstrated that rate limiting step of the whole process is the nucleophilic attack of a metal initiator with the formation of the tetrahedral carbon from sp 2 carbon atom of the carboxy group. The presence of electron-withdrawing groups at the terminal nitrogen atoms of the ligands leads to decrease in the activation energy of the rate limiting step.
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Zabalov M. V. et al. DFT study of the role of substituents in tin(II) bis(amidoethyl)amine complexes used for ε-caprolactone polymerization // Mendeleev Communications. 2022. Vol. 32. No. 4. pp. 460-463.
GOST all authors (up to 50) Copy
Zabalov M. V., Mankaev B. N., Egorov M. P., Karlov S. S. DFT study of the role of substituents in tin(II) bis(amidoethyl)amine complexes used for ε-caprolactone polymerization // Mendeleev Communications. 2022. Vol. 32. No. 4. pp. 460-463.
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TY - JOUR
DO - 10.1016/j.mencom.2022.07.011
UR - https://doi.org/10.1016/j.mencom.2022.07.011
TI - DFT study of the role of substituents in tin(II) bis(amidoethyl)amine complexes used for ε-caprolactone polymerization
T2 - Mendeleev Communications
AU - Zabalov, Maxim V
AU - Mankaev, B. N.
AU - Egorov, M. P.
AU - Karlov, Sergey S.
PY - 2022
DA - 2022/07/01
PB - OOO Zhurnal "Mendeleevskie Soobshcheniya"
SP - 460-463
IS - 4
VL - 32
SN - 0959-9436
SN - 1364-551X
ER -
BibTex |
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BibTex (up to 50 authors) Copy
@article{2022_Zabalov,
author = {Maxim V Zabalov and B. N. Mankaev and M. P. Egorov and Sergey S. Karlov},
title = {DFT study of the role of substituents in tin(II) bis(amidoethyl)amine complexes used for ε-caprolactone polymerization},
journal = {Mendeleev Communications},
year = {2022},
volume = {32},
publisher = {OOO Zhurnal "Mendeleevskie Soobshcheniya"},
month = {jul},
url = {https://doi.org/10.1016/j.mencom.2022.07.011},
number = {4},
pages = {460--463},
doi = {10.1016/j.mencom.2022.07.011}
}
MLA
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Zabalov, Maxim V., et al. “DFT study of the role of substituents in tin(II) bis(amidoethyl)amine complexes used for ε-caprolactone polymerization.” Mendeleev Communications, vol. 32, no. 4, Jul. 2022, pp. 460-463. https://doi.org/10.1016/j.mencom.2022.07.011.