| Autor: |
Balashov, Aleksandr A., Bielska, Katarzyna, Li, Gang, Kyuberis, Aleksandra A., Wójtewicz, Szymon, Domysławska, Jolanta, Ciuryło, Roman, Zobov, Nikolay F., Lisak, Daniel, Tennyson, Jonathan, Polyansky, Oleg L. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 6/21/2023, Vol. 158 Issue 23, p1-11, 11p |
| Abstrakt: |
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. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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