Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments

Andrei Sokolov, Jeanna Buldyreva, Alexander Kouzov

Research output

Abstract

Non-Markovian effects having a strong influence on far-wing intensities of spectroscopic signatures by molecular gases are analyzed theoretically with the use of a non-Markovian relaxation matrix derived for rapidly colliding linear rotators (J. Chem. Phys. 149, 044305 [2018]) for the benchmark case of rototranslational Raman spectra of molecular nitrogen recorded at high densities up to very far wings (Phys. Lett. A 157, 44 [1991]). This matrix is built here on the base of the translational-spectrum model of Birnbaum and Cohen and the recently computed, from known potential energy surfaces, two leading classical spectral moments (J. Ram. Spectrosc. 2020, DOI: 10.1002/jrs.5923). Theoretical intensity computations, going beyond the commonly used impact approximation, give much less overestimated values in the far wing and constitute a promising tool for getting accurate theoretical description of broad-band spectra.

Original languageEnglish
JournalJournal of Raman Spectroscopy
Early online date8 Aug 2020
DOIs
Publication statusE-pub ahead of print - 8 Aug 2020

Scopus subject areas

  • Materials Science(all)
  • Spectroscopy

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