Molecular emission spectra database

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SUMMARY

The discussion centers on the need for an online molecular emission spectra database for spectroscopic analysis of plasma, highlighting the absence of such a resource compared to existing atomic spectra databases like the NIST Atomic Spectra Database. The user seeks a more efficient method for analyzing spectra, currently relying on peak identification and matching with atomic lines, which is inadequate for molecular spectroscopy due to the complexity of molecular spectral features. The NIST Chemistry WebBook is mentioned as a resource for thermochemical and spectroscopic properties of molecules, but further exploration into molecular spectra databases is necessary for comprehensive analysis.

PREREQUISITES
  • Understanding of molecular spectroscopy principles
  • Familiarity with spectral line identification techniques
  • Knowledge of NIST Chemistry WebBook resources
  • Basic skills in data analysis for spectroscopic data
NEXT STEPS
  • Research available molecular emission spectra databases
  • Explore advanced techniques in molecular spectroscopy analysis
  • Learn about the collective motions of nuclei and electrons in molecular spectra
  • Investigate software tools for automated spectral analysis
USEFUL FOR

Researchers in spectroscopy, chemists analyzing plasma emissions, and anyone involved in molecular spectral analysis seeking to enhance their understanding and efficiency in data interpretation.

rammer
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Hi, I am looking for online molecular emission spectra database for spectroscopic analysis of plasma. It would be great if searching in it is based on a wavelength of spectral lines/bands.

For atomic spectra I found this database: http://physics.nist.gov/PhysRefData/ASD/lines_form.html
But I couldn't find anything like that for molecular spectra which is essential for full analysis of spectra.

And my next question is (as I am beginner in spectra analysis) what is the right and most efficient way of analysing spectra? My current procedure is that I find a peak in my spectrum then I search appropriate atoms using the peak wavelength and then I match one atom (the one which has more characteristic lines in my spectrum) for the given peak wavelength. Is there more efficient way?
 
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The NIST chemistry webbook has thermochemical and spectroscopic properties for a number of molecules: https://webbook.nist.gov/
rammer said:
My current procedure is that I find a peak in my spectrum then I search appropriate atoms using the peak wavelength and then I match one atom (the one which has more characteristic lines in my spectrum) for the given peak wavelength. Is there more efficient way?
This works fine for atomic absorption/emission, as well as x-ray photoelectron spectroscopy, but for molecular spectroscopy, trying to correlate spectral lines with individual atoms won't work. The spectral features in general are made up of collective motions of nuclei/electrons.
 

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