Unexpectedly strong Xe binding by host–guest interaction
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Laboratory of Quality and Safety Risk Assessment for Aquatic Products on Storage and Preservation (Shanghai), Ministry of Agriculture, Shanghai 201306, P. R. China
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3
College of Food Science and Technology
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Shanghai 201306
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P. R. China
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Laboratory of Quality and Safety Risk Assessment for Aquatic Products on Storage and Preservation (Shanghai)
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9
Zhangjiang Laboratory
11
Chinese Academy of sciences
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Shanghai 201210
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Publication type: Journal Article
Publication date: 2019-11-15
scimago Q2
wos Q2
SJR: 0.698
CiteScore: 5.3
Impact factor: 2.9
ISSN: 14639076, 14639084
PubMed ID:
31764929
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
A unique noncovalent interaction between XeO3 and 18-crown-6 has been studied by density functional theory. The calculated results show that there exists an extremely strong binding force between both species, reaching 36.44 kcal mol−1, which is comparable to the strong cation–π interaction. Detailed analyses on relaxed force constants, electrostatic potentials and the independent gradient model, etc. suggest that both quite strong aerogen bondings (Xe⋯O) and relatively weak unconventional H-bondings (C–H⋯O) coexist, and the complex is a typical heterodimer with multiple binding sites. Further studies found that XeO3 takes a quick rotary motion relative to 18-crown-6 in the complex due to low rotary barrier. Another two guest molecules, KrO3 and ArO3, are also discussed.
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Total citations:
7
Citations from 2024:
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(57%)
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GOST
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Miao J. et al. Unexpectedly strong Xe binding by host–guest interaction // Physical Chemistry Chemical Physics. 2019. Vol. 21. No. 47. pp. 26232-26236.
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Miao J., Xiong Z., Gao Y. Unexpectedly strong Xe binding by host–guest interaction // Physical Chemistry Chemical Physics. 2019. Vol. 21. No. 47. pp. 26232-26236.
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RIS
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TY - JOUR
DO - 10.1039/C9CP05562B
UR - https://xlink.rsc.org/?DOI=C9CP05562B
TI - Unexpectedly strong Xe binding by host–guest interaction
T2 - Physical Chemistry Chemical Physics
AU - Miao, Junjian
AU - Xiong, Zhenhai
AU - Gao, Yi
PY - 2019
DA - 2019/11/15
PB - Royal Society of Chemistry (RSC)
SP - 26232-26236
IS - 47
VL - 21
PMID - 31764929
SN - 1463-9076
SN - 1463-9084
ER -
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BibTex (up to 50 authors)
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@article{2019_Miao,
author = {Junjian Miao and Zhenhai Xiong and Yi Gao},
title = {Unexpectedly strong Xe binding by host–guest interaction},
journal = {Physical Chemistry Chemical Physics},
year = {2019},
volume = {21},
publisher = {Royal Society of Chemistry (RSC)},
month = {nov},
url = {https://xlink.rsc.org/?DOI=C9CP05562B},
number = {47},
pages = {26232--26236},
doi = {10.1039/C9CP05562B}
}
Cite this
MLA
Copy
Miao, Junjian, et al. “Unexpectedly strong Xe binding by host–guest interaction.” Physical Chemistry Chemical Physics, vol. 21, no. 47, Nov. 2019, pp. 26232-26236. https://xlink.rsc.org/?DOI=C9CP05562B.
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