Skip to main content
SpringerLink
Log in

Effect of Repulsive Electronic States on the Parameters of the Fine Structure of the Ground Electronic State of an OH Radical

  • XX SYMPOSIUM ON HIGH-RESOLUTION MOLECULAR SPECTROSCOPY (HighRus-2023)
  • Published:
Russian Journal of Physical Chemistry A Aims and scope Submit manuscript

Abstract

Calculations of the contribution from excited electronic states to parameters of the fine structure of the ground electronic state of an OH radical are made in the framework of perturbation theory (Van Vleck contact transformations). The potential energy functions of the electronic states and required matrix elements of spin-orbit and electron-rotation coupling are found from first principles. It is shown that repulsive (unbound) excited electronic states play a crucial role in the dependence of parameters of the fine structure of the ground state on the magnitude of the vibrational excitation.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1.
Fig. 2.
Fig. 3.
Fig. 4.
Fig. 5.
Fig. 6.

Similar content being viewed by others

REFERENCES

  1. J. Meléndez and B. Barbuy, Astrophys. J. 575, 474 (2002).

    Article  Google Scholar 

  2. M. Asplund, N. Grevesse, A. J. Sauval, et al., Astron. Astrophys. 417, 751 (2004).

    Article  CAS  Google Scholar 

  3. J. R. Goicoechea and J. Cernicharo, Astrophys. J. 576, L77 (2002).

    Article  CAS  Google Scholar 

  4. A. B. Meinel, Astrophys. J. 111, 555 (1950).

    Article  CAS  Google Scholar 

  5. A. B. Meinel, Astrophys. J. 112, 120 (1950).

    Article  CAS  Google Scholar 

  6. N. Grevesse and A. J. Sauval, and E. F. van Dishoeck, Astron. Astrophys. 141, 10 (1984).

    CAS  Google Scholar 

  7. Y. Smith and D. L. Lambert, Astrophys. J. 311, 843 (1986).

    Article  CAS  Google Scholar 

  8. G. Piccioni, P. Drossart, L. Zasova, et al., Astron. Astrophys. 483, L29 (2008).

    Article  CAS  Google Scholar 

  9. T. Clancy, B. J. Sor, A. Garcia-Munoz, et al., Icarus 226, 272 (2013).

    Article  Google Scholar 

  10. N. Schoerghofer, M. Benna, A. A. Berezhnoy, et al., Space Sci. Rev. 217 (6), 74 (2021).

    Article  Google Scholar 

  11. I. E. Gordon, L. S. Rothman, R. J. Hargreaves, et al., J. Quant. Spectrosc. Radiat. Transfer 277, 107949 (2022).

  12. T. Delahaye, R. Armante, N. A. Scott, et al., J. Mol. Spectrosc. 380, 111510 (2021).

  13. J. M. Brown, E. A. Colbourne, J. K. G. Watson, and F. D. Wayne, J. Mol. Spectrosc. 74, 294 (1979).

    Article  CAS  Google Scholar 

  14. P. F. Bernath and R. Colin, J. Mol. Spectrosc. 257, 20 (2009).

    Article  CAS  Google Scholar 

  15. E. A. Pazyuk, A. V. Zaitsevskii, A. V. Stolyarov, et al., Russ. Chem. Rev. 84, 1001 (2015).

    Article  CAS  Google Scholar 

  16. S. V. Kozlov, E. A. Pazyuk, and A. V. Stolyarov, Opt. Spectrosc. 125, 464 (2018).

    Article  CAS  Google Scholar 

  17. S. V. Kozlov, A. V. Stolyarov, and E. A. Pazyuk, Opt. Spectrosc. 131 (8) (2023, in press).

  18. D. R. Yarkony, J. Chem. Phys. 97, 1838 (1992).

    Article  CAS  Google Scholar 

  19. G. Parlant and D. R. Yarkony, J. Chem. Phys. 110, 363 (1999).

    Article  CAS  Google Scholar 

  20. J. S. A. Brooke, P. F. Bernath, C. M. Western, et al., J. Quant. Spectrosc. Radiat. Transfer 168, 142 (2016).

    Article  CAS  Google Scholar 

  21. H. Werner, P. Knowles, G. Knizia, et al., MOLPRO, Version 2010.1, a package of ab initio programs, 2010. http://www.molpro.net.

  22. S. R. Langhoff, M. L. Sink, R. H. Pritchard, and C. W. Kern, J. Mol. Spectrosc. 96, 200 (1982).

    Article  CAS  Google Scholar 

Download references

Funding

This work was supported by the Russian Science Foundation, project no. 22-23-00272 (https://rscf.ru/project/22-23-00272/).

Author information

Authors and Affiliations

  1. Faculty of Chemistry, Moscow State University, 119991, Moscow, Russia

    S. V. Kozlov, E. A. Pazyuk & A. V. Stolyarov

Authors
  1. S. V. Kozlov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. E. A. Pazyuk
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. A. V. Stolyarov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to S. V. Kozlov.

Ethics declarations

The authors of this work declare that they have no conflicts of interest.

Additional information

Translated by G. Levina

Publisher’s Note.

Pleiades Publishing remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Kozlov, S.V., Pazyuk, E.A. & Stolyarov, A.V. Effect of Repulsive Electronic States on the Parameters of the Fine Structure of the Ground Electronic State of an OH Radical. Russ. J. Phys. Chem. (2024). https://doi.org/10.1134/S0036024424050169

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • DOI: https://doi.org/10.1134/S0036024424050169

Keywords:

Search

Navigation