Details
| Original language | English |
|---|---|
| Pages (from-to) | 7597-7602 |
| Number of pages | 6 |
| Journal | Journal of Physical Chemistry Letters |
| Volume | 15 |
| Issue number | 30 |
| Early online date | 19 Jul 2024 |
| Publication status | Published - 1 Aug 2024 |
Abstract
This study explores the molecular clusters of cyclopentene (CPE) with one to three CO2 molecules (CPE-(CO2)1-3) through their jet-cooled rotational spectra using Fourier transform microwave spectroscopy with supplementary quantum chemical calculations. The assembly of CPE-(CO2)1-3 clusters is predominantly driven by tetrel bonding networks, notably C···π(C═C) and C···O interactions, with additional stabilization from weak C─H(CH2)···C═O hydrogen bonds. Critically, the dispersive forces play a pivotal role in stabilizing CO2 aggregation on CPE, eclipsing the effects of electrostatic and orbital interactions. This highlights the complex balance of forces that govern the formation and stabilization of these molecular clusters. Our findings offer precise insights into noncovalent interactions that could enhance atmospheric chemistry models and sustain climate science through informed environmental chemistry strategies.
ASJC Scopus subject areas
- Materials Science(all)
- General Materials Science
- Chemistry(all)
- Physical and Theoretical Chemistry
Sustainable Development Goals
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In: Journal of Physical Chemistry Letters, Vol. 15, No. 30, 01.08.2024, p. 7597-7602.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - How Nonpolar CO2 Aggregates on Cycloalkenes
T2 - A Case Study with Cyclopentene-(CO2)1-3 Clusters
AU - Lei, Juncheng
AU - Tian, Xiao
AU - Wang, Juan
AU - Herbers, Sven
AU - Li, Meng
AU - Gao, Tianyue
AU - Zou, Siyu
AU - Grabow, Jens Uwe
AU - Gou, Qian
N1 - Publisher Copyright: © 2024 American Chemical Society.
PY - 2024/8/1
Y1 - 2024/8/1
N2 - This study explores the molecular clusters of cyclopentene (CPE) with one to three CO2 molecules (CPE-(CO2)1-3) through their jet-cooled rotational spectra using Fourier transform microwave spectroscopy with supplementary quantum chemical calculations. The assembly of CPE-(CO2)1-3 clusters is predominantly driven by tetrel bonding networks, notably C···π(C═C) and C···O interactions, with additional stabilization from weak C─H(CH2)···C═O hydrogen bonds. Critically, the dispersive forces play a pivotal role in stabilizing CO2 aggregation on CPE, eclipsing the effects of electrostatic and orbital interactions. This highlights the complex balance of forces that govern the formation and stabilization of these molecular clusters. Our findings offer precise insights into noncovalent interactions that could enhance atmospheric chemistry models and sustain climate science through informed environmental chemistry strategies.
AB - This study explores the molecular clusters of cyclopentene (CPE) with one to three CO2 molecules (CPE-(CO2)1-3) through their jet-cooled rotational spectra using Fourier transform microwave spectroscopy with supplementary quantum chemical calculations. The assembly of CPE-(CO2)1-3 clusters is predominantly driven by tetrel bonding networks, notably C···π(C═C) and C···O interactions, with additional stabilization from weak C─H(CH2)···C═O hydrogen bonds. Critically, the dispersive forces play a pivotal role in stabilizing CO2 aggregation on CPE, eclipsing the effects of electrostatic and orbital interactions. This highlights the complex balance of forces that govern the formation and stabilization of these molecular clusters. Our findings offer precise insights into noncovalent interactions that could enhance atmospheric chemistry models and sustain climate science through informed environmental chemistry strategies.
UR - http://www.scopus.com/inward/record.url?scp=85199078241&partnerID=8YFLogxK
U2 - 10.1021/acs.jpclett.4c01737
DO - 10.1021/acs.jpclett.4c01737
M3 - Article
C2 - 39028941
AN - SCOPUS:85199078241
VL - 15
SP - 7597
EP - 7602
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
SN - 1948-7185
IS - 30
ER -