Journal of Physical Chemistry Letters, volume 13, issue 32, pages 7600-7606
“Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons
Publication type: Journal Article
Publication date: 2022-08-11
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.7
ISSN: 19487185
Physical and Theoretical Chemistry
General Materials Science
Abstract
We address the question why among the multitude of imaginable CnHm compositions some are easily synthesizable and abundant in nature, while others are not. To shed light on this problem we borrow approaches from nanocluster study, where stability with respect to neighboring compositions is used as a criterion of "magic" (particularly stable) clusters. By merging this criterion with predictions of lowest-energy structures of all CnHm molecules in a wide range of compositions (n ≤ 20, m ≤ 42) we provide guidelines for predicting the presence or absence of certain hydrocarbon molecules in various environments, their relative abundance and reactivity/inertness. The resulting maps of stability show the increased stability of C2nH2 compounds, polyaromatic hydrocarbons, and diamondoids, which is supported by experimental studies of the interstellar medium, flames, and petroleum fractions. This approach can be applied to any other molecular system, rationalizing the diversity of known compounds and predicting new potentially synthesizable molecules.
Citations by journals
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Nanoscale
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Nanoscale
2 publications, 40%
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Journal of Chemical Physics
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Journal of Chemical Physics
1 publication, 20%
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Astronomy and Astrophysics
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1 publication, 20%
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Journal of Physical Chemistry Letters
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1 publication, 20%
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1
2
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Citations by publishers
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
2 publications, 40%
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American Institute of Physics (AIP)
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American Institute of Physics (AIP)
1 publication, 20%
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EDP Sciences
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EDP Sciences
1 publication, 20%
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American Chemical Society (ACS)
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American Chemical Society (ACS)
1 publication, 20%
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1
2
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- We do not take into account publications that without a DOI.
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- Statistics recalculated weekly.
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Lepeshkin S. et al. “Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons // Journal of Physical Chemistry Letters. 2022. Vol. 13. No. 32. pp. 7600-7606.
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Lepeshkin S., Baturin V. S., Naumova A. S., Oganov A. R. “Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons // Journal of Physical Chemistry Letters. 2022. Vol. 13. No. 32. pp. 7600-7606.
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TY - JOUR
DO - 10.1021/acs.jpclett.2c02098
UR - https://doi.org/10.1021%2Facs.jpclett.2c02098
TI - “Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons
T2 - Journal of Physical Chemistry Letters
AU - Lepeshkin, Stepan
AU - Baturin, V S
AU - Naumova, Anastasia S
AU - Oganov, A. R.
PY - 2022
DA - 2022/08/11 00:00:00
PB - American Chemical Society (ACS)
SP - 7600-7606
IS - 32
VL - 13
SN - 1948-7185
ER -
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@article{2022_Lepeshkin,
author = {Stepan Lepeshkin and V S Baturin and Anastasia S Naumova and A. R. Oganov},
title = {“Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons},
journal = {Journal of Physical Chemistry Letters},
year = {2022},
volume = {13},
publisher = {American Chemical Society (ACS)},
month = {aug},
url = {https://doi.org/10.1021%2Facs.jpclett.2c02098},
number = {32},
pages = {7600--7606},
doi = {10.1021/acs.jpclett.2c02098}
}
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Lepeshkin, Stepan, et al. ““Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons.” Journal of Physical Chemistry Letters, vol. 13, no. 32, Aug. 2022, pp. 7600-7606. https://doi.org/10.1021%2Facs.jpclett.2c02098.