Open Access
Journal of Molecular Liquids, volume 309, pages 113113
High-pressure NMR spectroscopy in studies of the conformational composition of small molecules in supercritical carbon dioxide
Publication type: Journal Article
Publication date: 2020-07-01
Journal:
Journal of Molecular Liquids
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 6
ISSN: 01677322, 18733166
Materials Chemistry
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
Spectroscopy
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Abstract
An experimental approach in conducting NMR measurements at supercritical parameters of state is discussed. A novel design of the high-pressure NMR cell was developed which allowed eliminating the field inhomogeneity and, thus, increasing the sensitivity of the experiment at the supercritical state. Analysis of the MD simulations and NMR data showed that two conformers of ibuprofen dominate in the solution in supercritical CO2 along the critical isochore 1.3 \r{ho}cr(CO2). Conformer populations calculated from MD simulations and from NMR spectra agree with each other
Citations by journals
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Journal of Molecular Liquids
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Journal of Molecular Liquids
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Russian Journal of Physical Chemistry B
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1 publication, 4.55%
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Polymers
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1 publication, 4.55%
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Materials
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Materials
1 publication, 4.55%
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Frontiers in Chemistry
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Frontiers in Chemistry
1 publication, 4.55%
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International Journal of Molecular Sciences
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International Journal of Molecular Sciences
1 publication, 4.55%
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The Analyst
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1 publication, 4.55%
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Crystals
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1 publication, 4.55%
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Molecules
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Molecules
1 publication, 4.55%
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Citations by publishers
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Elsevier
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Elsevier
9 publications, 40.91%
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Multidisciplinary Digital Publishing Institute (MDPI)
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Multidisciplinary Digital Publishing Institute (MDPI)
7 publications, 31.82%
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Pleiades Publishing
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Pleiades Publishing
4 publications, 18.18%
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Frontiers Media S.A.
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Frontiers Media S.A.
1 publication, 4.55%
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
1 publication, 4.55%
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Khodov I. A. et al. High-pressure NMR spectroscopy in studies of the conformational composition of small molecules in supercritical carbon dioxide // Journal of Molecular Liquids. 2020. Vol. 309. p. 113113.
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Khodov I. A., Dyshin A. A., Efimov S., Ivlev D., Kiselev M. High-pressure NMR spectroscopy in studies of the conformational composition of small molecules in supercritical carbon dioxide // Journal of Molecular Liquids. 2020. Vol. 309. p. 113113.
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TY - JOUR
DO - 10.1016/j.molliq.2020.113113
UR - https://doi.org/10.1016%2Fj.molliq.2020.113113
TI - High-pressure NMR spectroscopy in studies of the conformational composition of small molecules in supercritical carbon dioxide
T2 - Journal of Molecular Liquids
AU - Khodov, Ilya A.
AU - Dyshin, Alexey A.
AU - Efimov, Sergey
AU - Ivlev, Dmitry
AU - Kiselev, Michael
PY - 2020
DA - 2020/07/01 00:00:00
PB - Elsevier
SP - 113113
VL - 309
SN - 0167-7322
SN - 1873-3166
ER -
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@article{2020_Khodov,
author = {Ilya A. Khodov and Alexey A. Dyshin and Sergey Efimov and Dmitry Ivlev and Michael Kiselev},
title = {High-pressure NMR spectroscopy in studies of the conformational composition of small molecules in supercritical carbon dioxide},
journal = {Journal of Molecular Liquids},
year = {2020},
volume = {309},
publisher = {Elsevier},
month = {jul},
url = {https://doi.org/10.1016%2Fj.molliq.2020.113113},
pages = {113113},
doi = {10.1016/j.molliq.2020.113113}
}
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