Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen-M (M = Co, Al, Zn)
Publication type: Journal Article
Publication date: 2014-07-25
scimago Q2
wos Q2
SJR: 0.634
CiteScore: 4.8
Impact factor: 2.8
ISSN: 10895639, 15205215
PubMed ID:
25046346
Physical and Theoretical Chemistry
Abstract
We propose a catalytic mechanism for the cycloaddition of epoxide to carbon dioxide catalyzed by salen-M (M = Co, Zn, Al) based on density functional theory calculations. The catalytic reaction follows a single-site mechanism rather than a bimetallic-site mechanism, which includes four steps: epoxide adsorption by salen-M, ring opening of epoxide, CO2 insertion, and intramolecular rearrangement. Our calculation results showed that the highest reaction barrier for salen-Co catalyst is only 9.94 kcal/mol, which is lower than that of salen-Al (14.38 kcal/mol) and salen-Zn (13.05 kcal/mol). The results indicate that the reaction catalyzed by salen-Al, salen-Co, or salen-Zn can occur at room temperature and atmospheric pressure, which is in agreement with experimental results. The mechanism can be used for the design of a novel catalyst for this reaction.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
1
2
3
4
5
6
7
|
|
|
New Journal of Chemistry
7 publications, 8.33%
|
|
|
Dalton Transactions
4 publications, 4.76%
|
|
|
Industrial & Engineering Chemistry Research
3 publications, 3.57%
|
|
|
Journal of Molecular Structure
3 publications, 3.57%
|
|
|
Journal of CO2 Utilization
2 publications, 2.38%
|
|
|
Green Chemical Engineering
2 publications, 2.38%
|
|
|
Journal of Organometallic Chemistry
2 publications, 2.38%
|
|
|
Molecular Catalysis
2 publications, 2.38%
|
|
|
ChemCatChem
2 publications, 2.38%
|
|
|
ACS Sustainable Chemistry and Engineering
2 publications, 2.38%
|
|
|
RSC Advances
2 publications, 2.38%
|
|
|
European Journal of Inorganic Chemistry
2 publications, 2.38%
|
|
|
Beilstein Journal of Organic Chemistry
1 publication, 1.19%
|
|
|
Materials
1 publication, 1.19%
|
|
|
Journal of Theoretical and Computational Chemistry
1 publication, 1.19%
|
|
|
Processes
1 publication, 1.19%
|
|
|
Catalysts
1 publication, 1.19%
|
|
|
Frontiers in Chemistry
1 publication, 1.19%
|
|
|
Applied Adhesion Science
1 publication, 1.19%
|
|
|
Theoretical Chemistry Accounts
1 publication, 1.19%
|
|
|
Journal of Molecular Modeling
1 publication, 1.19%
|
|
|
Journal of Molecular Graphics and Modelling
1 publication, 1.19%
|
|
|
Applied Surface Science
1 publication, 1.19%
|
|
|
Chemical Engineering Journal
1 publication, 1.19%
|
|
|
Journal of Environmental Chemical Engineering
1 publication, 1.19%
|
|
|
Carbohydrate Polymers
1 publication, 1.19%
|
|
|
Catalysis Today
1 publication, 1.19%
|
|
|
Ceramics International
1 publication, 1.19%
|
|
|
Current Opinion in Green and Sustainable Chemistry
1 publication, 1.19%
|
|
|
1
2
3
4
5
6
7
|
Publishers
|
5
10
15
20
25
|
|
|
Elsevier
23 publications, 27.38%
|
|
|
Royal Society of Chemistry (RSC)
21 publications, 25%
|
|
|
Wiley
17 publications, 20.24%
|
|
|
American Chemical Society (ACS)
8 publications, 9.52%
|
|
|
Springer Nature
4 publications, 4.76%
|
|
|
MDPI
3 publications, 3.57%
|
|
|
Beilstein-Institut
1 publication, 1.19%
|
|
|
World Scientific
1 publication, 1.19%
|
|
|
Frontiers Media S.A.
1 publication, 1.19%
|
|
|
American Association for the Advancement of Science (AAAS)
1 publication, 1.19%
|
|
|
OOO Zhurnal "Mendeleevskie Soobshcheniya"
1 publication, 1.19%
|
|
|
Taylor & Francis
1 publication, 1.19%
|
|
|
5
10
15
20
25
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
84
Total citations:
84
Citations from 2025:
11
(13.09%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Wang T., Xie Y., Deng W. Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen-M (M = Co, Al, Zn) // Journal of Physical Chemistry A. 2014. Vol. 118. No. 39. pp. 9239-9243.
GOST all authors (up to 50)
Copy
Wang T., Xie Y., Deng W. Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen-M (M = Co, Al, Zn) // Journal of Physical Chemistry A. 2014. Vol. 118. No. 39. pp. 9239-9243.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/jp506124h
UR - https://doi.org/10.1021/jp506124h
TI - Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen-M (M = Co, Al, Zn)
T2 - Journal of Physical Chemistry A
AU - Wang, Ting-Ting
AU - Xie, Yong
AU - Deng, Weiqiao
PY - 2014
DA - 2014/07/25
PB - American Chemical Society (ACS)
SP - 9239-9243
IS - 39
VL - 118
PMID - 25046346
SN - 1089-5639
SN - 1520-5215
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2014_Wang,
author = {Ting-Ting Wang and Yong Xie and Weiqiao Deng},
title = {Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen-M (M = Co, Al, Zn)},
journal = {Journal of Physical Chemistry A},
year = {2014},
volume = {118},
publisher = {American Chemical Society (ACS)},
month = {jul},
url = {https://doi.org/10.1021/jp506124h},
number = {39},
pages = {9239--9243},
doi = {10.1021/jp506124h}
}
Cite this
MLA
Copy
Wang, Ting-Ting, et al. “Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen-M (M = Co, Al, Zn).” Journal of Physical Chemistry A, vol. 118, no. 39, Jul. 2014, pp. 9239-9243. https://doi.org/10.1021/jp506124h.