Balashov, Aleksandr A;
Bielska, Katarzyna;
Li, Gang;
Kyuberis, Aleksandra A;
Wójtewicz, Szymon;
Domysławska, Jolanta;
Ciuryło, Roman;
... Polyansky, Oleg L; + view all
(2023)
Measurement and calculation of CO (7-0) overtone line intensities.
The Journal of Chemical Physics
, 158
(23)
, Article 234306. 10.1063/5.0152996.
Preview |
Text
Tennyson_Measurement and calculation of CO (7-0) overtone line intensities_VoR.pdf - Published Version Download (4MB) | Preview |
Abstract
Intensities of 14 lines in the sixth overtone (7-0) band of carbon monoxide (12C16O) are measured in the visible range between 14 300 and 14 500 cm-1 using a frequency-stabilized cavity ring-down spectrometer. This is the first observation of such a high and weak overtone spectrum of the CO molecule. A theoretical model is constructed and tested based on the use of a high accuracy ab initio dipole moment curve and a semi-empirical potential energy curve. Accurate studies of high overtone transitions provide a challenge to both experiment and theory as the lines are very weak: below 2 × 10-29 cm molecule-1 at 296 K. Agreement between theory and experiment within the experimental uncertainty of a few percent is obtained. However, this agreement is only achieved after issues with the stability of the Davidson correction to the multi-reference configuration interaction calculations are addressed.
| Type: | Article |
|---|---|
| Title: | Measurement and calculation of CO (7-0) overtone line intensities |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/5.0152996 |
| Publisher version: | https://doi.org/10.1063/5.0152996 |
| Language: | English |
| Additional information: | © 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/10172436 |
Archive Staff Only
 |
View Item |
