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One of the equations at the bottom has nu instead of nu-bar at one point (should be obvious, cf. other equation) - I don't know how to fix this. The author also seems randomly to believe there is a HCl spectrum on the page, from the last paragraph? Nessa Carson ( talk) 15:49, 4 March 2012 (UTC)
Would this article be better renamed Rotational-Vibrational Spectroscopy, which is the name of the main section and seems to describe the article better? Do others think that the article should be renamed (or moved in Wikispeak)? Dirac66 ( talk) 23:25, 10 November 2012 (UTC)
I strongly agree with the suggestion above (re-naming to Rotational-vibrational spectroscopy). Aside from giving a more accurate description of the content of this page, it will also allow for better connectivity with other forms of spectroscopy that are described in Wikipedia. Nnrw ( talk) 18:14, 16 November 2012 (UTC)18:14, 16 November 2012 (UTC)
Please check for typos, errors etc. Can anyone contribute actual spectra, particularly for symmetric tops? Petergans ( talk) 09:23, 23 December 2012 (UTC)
We have permission from SpectraCalc to show simulated spectra created on their web-site. I am in the process of clearing this with WP.permissions, so that we can upload simulated spectra. The simulations without line-width are actually easier to understand than real spectra because component lines are "resolved" so that the underlying structure is easier to see. I will put in the parallel band from CH3Cl 680-780 cm-1. For perpendicular bands we could use 1300-1400. 1400-1500 or 3000-3100 cm-1. Unfortunately there is a restriction to 100 cm-1 range for non-subscribers. Other possibilities are nitric oxide,NO, 1830-1930 (lambda doubling) and nitrous oxide, NNO, 540-640 cm-1, a nice example of a perpendicular band in a linear molecule. Petergans ( talk) 10:51, 4 January 2013 (UTC)
Several questions re the simulated CO spectrum:
Correct book is Banwell&McCash. I created the diagram in EXCEL using the equation and constants taken from Banwell&McCash, on p70 (ref. 4).
I found the errors in the spreadsheet and uploaded a new png, but it does not seem to show. Petergans ( talk) 10:23, 6 January 2013 (UTC)
As is to be expected in an article based on different sources, there is (at least) one notational conflict. In the paragraph on dioxygen, the symbol K is the quantum number for molecular rotation before nuclear spin is added to give J. However in the section on symmetric tops, K is the component of J about the molecular axis. Since both meanings relate to part of the total J, there is a risk of confusion for some readers. Since the symmetric top usage is much more widespread (at least in textbooks), I think the best choice would be to follow Hollas and relabel the dioxygen K as N. If the other sources cited use K (I haven't checked), we can mention in the footnotes that their K is our N. For the moment I added such a mention to the footnote citing Hollas, but that can be removed if we change the symbol in the text. Dirac66 ( talk) 23:54, 10 January 2013 (UTC)
In the section Raman spectra of diatomic molecules, the combination difference formulas are now given as
Yes, these are correctly copied from Hollas p135 except that one typo in Hollas has been fixed by restoring the missing F. However there is a second typo in Hollas which I will fix - and have been interchanged. This is clear from the line preceding equ. (6.39) in Hollas which states that is a function of B" only (not B' as his printed equation implies), and also from the line following equ. (6.40), and finally by analogy to the IR combination differences on Hollas p132. Dirac66 ( talk) 16:45, 15 January 2013 (UTC)
We now have the needed permission to show diagrams created in Spectracalc. Via e-mail to me personally, received 16 January 2013
Petergans ( talk) 13:37, 17 January 2013 (UTC)
In the section on Symmetric top molecules, what exactly are the definitions of sub-band and sub-spectrum? What sets of transitions constitute a sub-band and a sub-spectrum?
And for that matter, what exact set of transitions constitutes a band? All rotational transitions corresponding to the same vibrational excitation, or only some? This latter question could be answered at the first mention of the word band. Dirac66 ( talk) 22:12, 21 January 2013 (UTC)
I'm no expert here. Hollas, p.158, says virtually nothing about perpendicular bands. On p.100 he gives the formula for pure rotation in a symmetric top, excluding centrifugal distortion, as
The selection rule for a perpendicular ro-vib band means that for every value of J there are 2 values of K, so the "sub-structure" is not exactly like a PQR structure. I don't see how to clarify this without going into a great deal of detail, which I feel is not warranted. Quite the opposite, I've removed the sentence about rotational fine structure. Petergans ( talk) 12:08, 23 January 2013 (UTC)
I have created that article and propose to submit it for "Did you know?". Any suggestions/revisions will be welcome, before I submit it.
That article concludes the trio of articles in which rotational transitions may be involved. Are there any repercussions on this one and rotational spectroscopy? Petergans ( talk) 08:07, 11 March 2013 (UTC)
Please: WP:MOS and WP:MOSMATH exist.
I found things like
instead of
i.e. a hyphen rather than a minus sign, no proper spacing, and the J was not italicized. (One italicizes variables in this context, but not digits and not parentheses, etc. See WP:MOSMATH. This is consistent with TeX usage (i.e. inside <math> tags) and these things are taken care of automatically when they are within TeX.)
I found lots of instances of things like
instead of
i.e. no space between "pp" and the numeral, and a hyphen instead of an en-dash. In at least on case there was something like p 29–31, i.e. a single "p" even though it's more than one page.
Michael Hardy ( talk) 03:52, 26 May 2013 (UTC)
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