What are the S(x)-S(y) rotation lines?

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SUMMARY

The discussion centers on the notation S(x)-S(y) related to two-photon excitation processes in molecular spectroscopy, specifically for hydrogen (H2). The S lines indicate transitions where the change in angular momentum is +2, contrasting with the R and P branches that correspond to ro-vibrational transitions with ΔJ=±1. The 0-0 S(0)-S(1) transition refers to a rotational Raman transition, while the 1-0 S(1) transition involves a ro-vibrational transition from the J=1 level in the ground vibrational state to the J=3 level in the excited vibrational state. Recommended resources include textbooks on Raman spectroscopy and the works of Herzberg for further understanding.

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  • Understanding of molecular spectroscopy principles
  • Familiarity with two-photon excitation processes
  • Knowledge of rotational and ro-vibrational transitions
  • Basic concepts of quantum mechanics as applied to molecular systems
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  • Study "Molecular Spectra and Molecular Structure" by Gerhard Herzberg for foundational knowledge
  • Research Raman spectroscopy techniques and their applications
  • Explore the differences between Q, S, and O branches in molecular transitions
  • Investigate the role of vibrational quantum numbers in molecular transitions
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Researchers, students, and professionals in the fields of molecular spectroscopy, astrophysics, and physical chemistry who are seeking to deepen their understanding of two-photon excitation processes and molecular transitions.

amarante
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Hi,

I really tried to find some explanation about this notation S(x)-S(y), but I couldn't find any! I am reading a paper about Excitation of H_2 in Photodissociation regions, and it all the time say something like:

"we find that the model can account for the first low H2 rotational line (e.g., 0-0 S(0)-S(1)) probing the bulk of the gas at moderate temperature, as well as the ro-vibrational line (e.g., 1-0 S(1)"
What are exactly the transitions 0-0 S(0)-S(1)? And the difference between them to 1-0 S(1)?

If someone could give a reference explaining this notation I would be very glad.

Thanks in advance,
Amarante
 
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amarante said:
Hi,

I really tried to find some explanation about this notation S(x)-S(y), but I couldn't find any! I am reading a paper about Excitation of H_2 in Photodissociation regions, and it all the time say something like:

"we find that the model can account for the first low H2 rotational line (e.g., 0-0 S(0)-S(1)) probing the bulk of the gas at moderate temperature, as well as the ro-vibrational line (e.g., 1-0 S(1)"
What are exactly the transitions 0-0 S(0)-S(1)? And the difference between them to 1-0 S(1)?

If someone could give a reference explaining this notation I would be very glad.

Thanks in advance,
Amarante

The S lines are lines for two-photon excitation processes where the change in angular momentum is +2. You may recall the R and P branches corresponding to ro-vibrational transitions with \Delta J=\pm1? Well for two photon transitions, you can have \Delta J=0,\pm2. These are called the Q, S and O branches.

Note that you can have a Q-branch in single-photon spectra as well, if the molecule possesses an internal rotation axis (e.g. symmetric top, asymmetric top, or spherical top molecules).

Note that since they are talking about H2, these transitions are probably Raman transitions. The 0-0 S(0)-S(1) is a rotational Raman transition (the 0-0 part is likely referring to vibrational quantum numbers). The other transition (0-1 S(1)) should be a ro-vibrational transition between the J=1 level in the ground vibrational state to the J=3 level in the excited vibrational state.
 
Last edited:
Thank you so much! I could only find the R and P branches.

Could you recommend a book or paper explaining the Q, S and O branches? I need it, because I am preparing a seminar and I would need a reference.

Thanks,
Amarante
 
amarante said:
Thank you so much! I could only find the R and P branches.

Could you recommend a book or paper explaining the Q, S and O branches? I need it, because I am preparing a seminar and I would need a reference.

Thanks,
Amarante

I don't have a copy of Herzberg handy, but I am almost certain it is in there ... most everything of import pertaining to spectroscopy is in there. A textbook on Raman spectroscopy should also cover this.
 
Thank you for the help!

I am going to look for it
 

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