DFT modeling of the carbon dioxide and alkene oxide reaction catalyzed by a CrIII complex
Publication type: Journal Article
Publication date: 2023-09-01
scimago Q3
wos Q3
SJR: 0.305
CiteScore: 3.0
Impact factor: 1.7
ISSN: 09599436, 1364551X
General Chemistry
Abstract
The mechanism of the carbon dioxide and alkene oxide reaction catalyzed by the pentagonal-bipyramidal CrIII complex, dichloro[2,6-diacetylpyridine bis(benzoylhydrazone)(1−)] chromium, includes the steps of sequential binding of the epoxide molecule, chloride ion and CO2 with the catalytic particle and subsequent cyclization, accompanied by dissociation of Cl−. The solvent effect is important for the formation of the cyclic carbonate product.
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Ustynyuk L. Y. et al. DFT modeling of the carbon dioxide and alkene oxide reaction catalyzed by a CrIII complex // Mendeleev Communications. 2023. Vol. 33. No. 5. pp. 611-613.
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Ustynyuk L. Y., Shestakov A. F. DFT modeling of the carbon dioxide and alkene oxide reaction catalyzed by a CrIII complex // Mendeleev Communications. 2023. Vol. 33. No. 5. pp. 611-613.
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TY - JOUR
DO - 10.1016/j.mencom.2023.09.006
UR - https://linkinghub.elsevier.com/retrieve/pii/S0959943623002328
TI - DFT modeling of the carbon dioxide and alkene oxide reaction catalyzed by a CrIII complex
T2 - Mendeleev Communications
AU - Ustynyuk, Leila Yu.
AU - Shestakov, Alexander F.
PY - 2023
DA - 2023/09/01
PB - OOO Zhurnal "Mendeleevskie Soobshcheniya"
SP - 611-613
IS - 5
VL - 33
SN - 0959-9436
SN - 1364-551X
ER -
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@article{2023_Ustynyuk,
author = {Leila Yu. Ustynyuk and Alexander F. Shestakov},
title = {DFT modeling of the carbon dioxide and alkene oxide reaction catalyzed by a CrIII complex},
journal = {Mendeleev Communications},
year = {2023},
volume = {33},
publisher = {OOO Zhurnal "Mendeleevskie Soobshcheniya"},
month = {sep},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0959943623002328},
number = {5},
pages = {611--613},
doi = {10.1016/j.mencom.2023.09.006}
}
Cite this
MLA
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Ustynyuk, Leila Yu., et al. “DFT modeling of the carbon dioxide and alkene oxide reaction catalyzed by a CrIII complex.” Mendeleev Communications, vol. 33, no. 5, Sep. 2023, pp. 611-613. https://linkinghub.elsevier.com/retrieve/pii/S0959943623002328.
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