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Abstract
The molecular anion C2− has been of interest in the past few years as a candidate for laser cooling due to its electronic structure and favorable branching ratios to the ground electronic and vibrational states. Molecular hydrogen has been used by the Wester group at Innsbruck as a buffer gas to cool the molecule’s internal rovibrational motion. In the present work we generate a five-dimensional (5D) interaction potential for the system by considering the H2 as a rigid rotor and the C2− as a rotating-vibrating diatomic molecule. We then calculate the cross sections and rate coefficients for rovibrational inelastic collisions of C2− with both para- and ortho-H2 on this 5D ab initio potential energy surface using quantum scattering theory for the dynamics. The rates for vibrational quenching are obtained over a range of temperatures that covers the single point measured by the experiments. A comparison is also made with earlier results which had used a simpler 3D interaction potential. Para-H2 is found to be more efficient than ortho-H2 (with or without also undergoing rotational excitation) in cooling C2−. The rate coefficients for cooling the anions have been computed by appropriately weighting the ortho- and para-H2 and compared with the available experimental result at 20 K. The computed results are nearly two orders of magnitude larger than the single experimental point. When the vibrational deexcitation rate coefficients are employed without any concurrent rotational excitations in the final C2− anions (a situation considered to be nonphysical under the present experimental setup), the properly averaged results are found to get smaller and to become very close to the existing experimental measurements. The robustness of the present results is tested and confirmed. The implications of these results for laser cooling of C2− are analyzed and discussed.
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Authors (8)
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Kousik Giri
- Department of Computational Sciences, Central University of Punjab, Bathinda, Punjab 151401, India
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Barry P. Mant
- Institüt für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck, Austria
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Franco A. Gianturco
- Institüt für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck, Austria
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Roland Wester
- Institüt für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck, Austria
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Rupayan Biswas
- School of Chemical Sciences, National Institute of Science Education and Research Bhubaneswar, an OCC of Homi Bhabha National Institute, Khurda, Odisha 752050, India
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Upakarasamy Lourderaj
- School of Chemical Sciences, National Institute of Science Education and Research Bhubaneswar, an OCC of Homi Bhabha National Institute, Khurda, Odisha 752050, India
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Narayanasami Sathyamurthy
- Indian Institute of Science Education and Research Mohali, SAS Nagar, Punjab 140306, India
Cite as
Full text
- Publication version
- Accepted or Published Version
- DOI:
- Digital Object Identifier (open in new tab) 10.1103/PhysRevA.111.032817
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- Category:
- Articles
- Type:
- artykuły w czasopismach
- Published in:
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PHYSICAL REVIEW A
no. 111,
ISSN: 2469-9926 - Language:
- English
- Publication year:
- 2025
- Bibliographic description:
- Giri K., Mant B. P., Gianturco F. A., Wester R., Franz J., Biswas R., Lourderaj U., Sathyamurthy N.: Rovibrational quenching calculations of C2− in collision with H2// PHYSICAL REVIEW A -Vol. 111,iss. 3 (2025), s.032817-
- DOI:
- Digital Object Identifier (open in new tab) 10.1103/physreva.111.032817
- Sources of funding:
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- Wroclawskie Centrum Sieciowo-Superkomputerowe, Politechnika Wroclawska (WCSS) through Grant No. KDM- 408
- Verified by:
- Gdańsk University of Technology
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