Journal of Physical Chemistry A, volume 111, issue 17, pages 3294-3301
Diketone radical cations: Ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations
Publication type: Journal Article
Publication date: 2007-04-12
Journal:
Journal of Physical Chemistry A
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor: 2.9
ISSN: 10895639, 15205215
Physical and Theoretical Chemistry
Abstract
Radical cations of 2,3-butanedione, 2,4-pentanedione, 3-methylpentane-2,4-dione, 2,5-hexanedione, and 2,3-pentanedione were investigated by electron paramagnetic resonance (EPR) spectroscopy in a solid Freon matrix and density functional theory (DFT) quantum chemical calculations. All the diketone radical cations in ketonic form show small proton hyperfine couplings (typically unresolved in the EPR spectra). In the cases of 2,4-pentanedione and 3-methylpentane-2,4-dione, enolic forms of the radical cations (pi-type species with main spin population at carbon atom) were characterized. Preferential stabilization of the enolic form of 3-methylpentane-2,4-dione radical cation was explained by trap-to-trap positive hole migration rather than monomolecular relaxation of the ionized ketonic form through H atom transfer.
Citations by journals
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1 publication, 6.25%
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1 publication, 6.25%
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1 publication, 6.25%
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Journal of Molecular Structure
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1 publication, 6.25%
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Asymmetric Top Molecules. Part 2
1 publication, 6.25%
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1
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Citations by publishers
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8
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Elsevier
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Elsevier
8 publications, 50%
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2 publications, 12.5%
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Springer Nature
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Springer Nature
2 publications, 12.5%
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American Chemical Society (ACS)
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American Chemical Society (ACS)
2 publications, 12.5%
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Wiley
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Wiley
1 publication, 6.25%
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American Institute of Physics (AIP)
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American Institute of Physics (AIP)
1 publication, 6.25%
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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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Nuzhdin K. B., Feldman V. I., Kobzarenko A. V. Diketone radical cations: Ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations // Journal of Physical Chemistry A. 2007. Vol. 111. No. 17. pp. 3294-3301.
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Nuzhdin K. B., Feldman V. I., Kobzarenko A. V. Diketone radical cations: Ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations // Journal of Physical Chemistry A. 2007. Vol. 111. No. 17. pp. 3294-3301.
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TY - JOUR
DO - 10.1021/jp0685380
UR - https://doi.org/10.1021%2Fjp0685380
TI - Diketone radical cations: Ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations
T2 - Journal of Physical Chemistry A
AU - Nuzhdin, Kirill B
AU - Kobzarenko, Aleksey V
AU - Feldman, Vladimir I.
PY - 2007
DA - 2007/04/12 00:00:00
PB - American Chemical Society (ACS)
SP - 3294-3301
IS - 17
VL - 111
SN - 1089-5639
SN - 1520-5215
ER -
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@article{2007_Nuzhdin,
author = {Kirill B Nuzhdin and Aleksey V Kobzarenko and Vladimir I. Feldman},
title = {Diketone radical cations: Ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations},
journal = {Journal of Physical Chemistry A},
year = {2007},
volume = {111},
publisher = {American Chemical Society (ACS)},
month = {apr},
url = {https://doi.org/10.1021%2Fjp0685380},
number = {17},
pages = {3294--3301},
doi = {10.1021/jp0685380}
}
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Nuzhdin, Kirill B., et al. “Diketone radical cations: Ketonic and enolic forms as revealed by matrix EPR studies and DFT calculations.” Journal of Physical Chemistry A, vol. 111, no. 17, Apr. 2007, pp. 3294-3301. https://doi.org/10.1021%2Fjp0685380.
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