Journal of Chemical Physics, volume 137, issue 13, pages 134305
Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization
Cao Qian
1
,
Andrijchenko Natalya
2
,
Ahola Anna Elina
1
,
Domanskaya Alexandra
3
,
Räsänen Markku
1
,
Khriachtchev Leonid
1
3
Georg-August-Universität 3 , Institut für Physikalische Chemie, Göttingen D-37077, Germany
|
Publication type: Journal Article
Publication date: 2012-10-05
Journal:
Journal of Chemical Physics
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 4.4
ISSN: 00219606, 10897690
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Intermolecular complexes of phenol with xenon and nitrogen are studied by infrared absorption spectroscopy in a neon matrix and by quantum chemistry calculations. The π complex is theoretically the most stable 1:1 phenol⋅⋅⋅Xe structure, but it has no characteristic shifts in the calculated vibrational spectrum, which complicates its experimental characterization. However, the formation of the π complex finds indirect but significant support from the experimental results. The calculated spectrum of the less stable H-bonded complex shows a number of characteristic absorptions, but they are not observed in the experiment, indicating the lack of its formation. For the phenol⋅⋅⋅Xen (n = 2–4) complexes, the calculations predict substantial changes in the vibrational spectra, and the corresponding bands are observed in the matrices with large concentrations of xenon. Our experiments show the high efficiency of the formation of large xenon clusters in a neon matrix that can accommodate a major part of phenol molecules. In contrast to the case of xenon, the H-bonded 1:1 phenol⋅⋅⋅N2 complex is found in a neon matrix, and the formation of large N2 clusters embedding phenol molecules is relatively inefficient.
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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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Cao Q. et al. Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization // Journal of Chemical Physics. 2012. Vol. 137. No. 13. p. 134305.
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Cao Q., Andrijchenko N., Ahola A. E., Domanskaya A., Räsänen M., Ermilov A., Nemukhin A., Khriachtchev L. Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization // Journal of Chemical Physics. 2012. Vol. 137. No. 13. p. 134305.
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TY - JOUR
DO - 10.1063/1.4754435
UR - https://doi.org/10.1063%2F1.4754435
TI - Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization
T2 - Journal of Chemical Physics
AU - Cao, Qian
AU - Andrijchenko, Natalya
AU - Ahola, Anna Elina
AU - Domanskaya, Alexandra
AU - Räsänen, Markku
AU - Ermilov, Alexander
AU - Nemukhin, Alexander
AU - Khriachtchev, Leonid
PY - 2012
DA - 2012/10/05 00:00:00
PB - American Institute of Physics (AIP)
SP - 134305
IS - 13
VL - 137
SN - 0021-9606
SN - 1089-7690
ER -
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@article{2012_Cao,
author = {Qian Cao and Natalya Andrijchenko and Anna Elina Ahola and Alexandra Domanskaya and Markku Räsänen and Alexander Ermilov and Alexander Nemukhin and Leonid Khriachtchev},
title = {Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization},
journal = {Journal of Chemical Physics},
year = {2012},
volume = {137},
publisher = {American Institute of Physics (AIP)},
month = {oct},
url = {https://doi.org/10.1063%2F1.4754435},
number = {13},
pages = {134305},
doi = {10.1063/1.4754435}
}
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MLA
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Cao, Qian, et al. “Interaction of phenol with xenon and nitrogen: Spectroscopic and computational characterization.” Journal of Chemical Physics, vol. 137, no. 13, Oct. 2012, p. 134305. https://doi.org/10.1063%2F1.4754435.