Special features of ethylene epoxidation by peroxyacetic acid
N B Filimonova
1
,
A. V. Vorob'ev
1
,
K V Bozhenko
2
,
N I Moiseeva
3
,
S P Dolin
3
,
A E Gekhman
3
,
I. I. Moiseev
3
Publication type: Journal Article
Publication date: 2010-06-01
scimago Q4
SJR: 0.244
CiteScore: 2.6
Impact factor: —
ISSN: 19907931, 19907923
Physical and Theoretical Chemistry
Abstract
The B3LYP/6-31G(d, p) method of density functional theory was used to study the influence of carboxylic acid and water molecules on parallel ethylene oxidation reactions (epoxidation and hydroxylation) by peroxyacetic acid with the formation of various products. It was shown that carboxylic acid in the nondissociated form always present in the reaction mixture for several reasons had a catalytic action on this reaction and therefore contributed to an increase in its selectivity. We also found that the water molecule and its dimer facilitated epoxide formation. The suggestion was made that, if the reaction was performed in an aqueous medium, where the acid dissociated, the situation could radically change, and the hydroxylation reaction with the formation of glycol and/or its ester of the corresponding carboxylic acid would become predominant.
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GOST
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Filimonova N. B. et al. Special features of ethylene epoxidation by peroxyacetic acid // Russian Journal of Physical Chemistry B. 2010. Vol. 4. No. 3. pp. 408-412.
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Filimonova N. B., Vorob'ev A. V., Bozhenko K. V., Moiseeva N. I., Dolin S. P., Gekhman A. E., Moiseev I. I. Special features of ethylene epoxidation by peroxyacetic acid // Russian Journal of Physical Chemistry B. 2010. Vol. 4. No. 3. pp. 408-412.
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RIS
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TY - JOUR
DO - 10.1134/S1990793110030073
UR - https://doi.org/10.1134/S1990793110030073
TI - Special features of ethylene epoxidation by peroxyacetic acid
T2 - Russian Journal of Physical Chemistry B
AU - Filimonova, N B
AU - Vorob'ev, A. V.
AU - Bozhenko, K V
AU - Moiseeva, N I
AU - Dolin, S P
AU - Gekhman, A E
AU - Moiseev, I. I.
PY - 2010
DA - 2010/06/01
PB - Pleiades Publishing
SP - 408-412
IS - 3
VL - 4
SN - 1990-7931
SN - 1990-7923
ER -
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BibTex (up to 50 authors)
Copy
@article{2010_Filimonova,
author = {N B Filimonova and A. V. Vorob'ev and K V Bozhenko and N I Moiseeva and S P Dolin and A E Gekhman and I. I. Moiseev},
title = {Special features of ethylene epoxidation by peroxyacetic acid},
journal = {Russian Journal of Physical Chemistry B},
year = {2010},
volume = {4},
publisher = {Pleiades Publishing},
month = {jun},
url = {https://doi.org/10.1134/S1990793110030073},
number = {3},
pages = {408--412},
doi = {10.1134/S1990793110030073}
}
Cite this
MLA
Copy
Filimonova, N. B., et al. “Special features of ethylene epoxidation by peroxyacetic acid.” Russian Journal of Physical Chemistry B, vol. 4, no. 3, Jun. 2010, pp. 408-412. https://doi.org/10.1134/S1990793110030073.
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