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

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Discussion Overview

The discussion centers around the notation S(x)-S(y) in the context of molecular transitions, specifically relating to the excitation of H2 in photodissociation regions. Participants seek clarification on the meaning of transitions such as 0-0 S(0)-S(1) and 1-0 S(1), as well as references for further reading on the topic.

Discussion Character

  • Exploratory
  • Technical explanation
  • Homework-related

Main Points Raised

  • Amarante seeks clarification on the notation S(x)-S(y) and its application in the context of H2 excitation.
  • One participant explains that the S lines correspond to two-photon excitation processes with a change in angular momentum of +2, contrasting them with R and P branches that involve single-photon transitions with \Delta J=\pm1.
  • The participant notes that the 0-0 S(0)-S(1) transition is likely a rotational Raman transition, while the 1-0 S(1) transition is described as a ro-vibrational transition between specific J levels in different vibrational states.
  • Amarante expresses a need for references on Q, S, and O branches for seminar preparation.
  • Another participant suggests that a textbook by Herzberg or a textbook on Raman spectroscopy may contain relevant information.

Areas of Agreement / Disagreement

Participants generally agree on the definitions and implications of the S lines and their relation to two-photon transitions, but no consensus is reached on specific references or the detailed mechanics of the transitions discussed.

Contextual Notes

Participants express uncertainty regarding the availability of specific references and the depth of explanation required for the transitions. There is also a lack of clarity on the exact nature of the transitions without further context from the original paper.

Who May Find This Useful

Readers interested in molecular spectroscopy, particularly those studying H2 transitions and Raman spectroscopy, may find this discussion relevant.

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 [tex]\Delta J=\pm1[/tex]? Well for two photon transitions, you can have [tex]\Delta J=0,\pm2[/tex]. 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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