Theoretical calculation of a full-dimensional ab initio potential energy surface and prediction of infrared spectra for Xe–CS2
Author:
Affiliation:
1. School of Architectural and Environmental Engineering
2. Chengdu Technological University
3. Chengdu 611730
4. China
5. Center of Big Data for Smart Environmental Protection
6. School of Chemistry
7. Sichuan University
8. Chengdu 610064
Abstract
Contour plot (in cm−1) of the averaged intermolecular potential energy surface for Xe–CS2 with CS2 at the ν1 + ν3 excited state.
Funder
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/RA/C9RA03782A
Reference53 articles.
1. Optothermal‐infrared and pulsed‐nozzle Fourier‐transform microwave spectroscopy of rare gas–CO2complexes
2. Infrared absorption spectroscopy of rare-gas ? CO2 clusters produced in supersonic expansions
3. Induced dipole moments and intermolecular force fields of rare gas-carbon dioxide complexes studied by Fourier-transform microwave spectroscopy
4. Vibrational predissociation in the CO2dimer and trimer and rare gas–CO2complexes
5. Infrared spectroscopy of Ne–12C18O2 and Xe–12C18O2: Change in the CO2 intramolecular potential by formation of rare gas–CO2 complexes
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