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Theoretical investigations of discrete resonance Raman scattering in H 2 via intermediate B, C states
Author(s) -
Banerjee Sima,
Bhattacharyya S. S.,
Saha Samir
Publication year - 1991
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250221112
Subject(s) - raman spectroscopy , excited state , resonance (particle physics) , raman scattering , chemistry , atomic physics , formalism (music) , x ray raman scattering , molecular physics , ground state , coherent anti stokes raman spectroscopy , nuclear magnetic resonance , physics , optics , art , musical , visual arts
Discrete resonance Raman scattering (DRRS) from the ground X 1 Σ g + (ν g = 0, J g = 0‐2) state of H 2 via excited intermediate states B 1 Σ u + (ν i = 0‐3, J i = 0‐3) and C 1 Π u (ν i = 0‐3, J i = 1‐3) was studied theoretically, applying the reduced density operator formalism. The Raman Spectra for the pure rotational, fundamental and higher overtones are presented. The intensities of the Raman lines for O , Q and S branches were calculated using thermal Boltzmann factors for vibrational‐rotational distribution at room temperature (300 K). The calculated DRRS cross‐sections are found to be many orders of magnitude larger than normal (non‐resonance) Raman cross‐sections for H 2 or continuum resonance Raman cross‐sections for molecular ions such as HD + .