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Raman band contours. II: Symmetric top molecules
Author(s) -
Masri Frederick N.,
Fletcher William H.
Publication year - 1973
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.1250010303
Subject(s) - tops , raman spectroscopy , degenerate energy levels , planar , oblate spheroid , molecular physics , function (biology) , coupling (piping) , range (aeronautics) , physics , chemistry , atomic physics , geometry , mathematical analysis , optics , quantum mechanics , mathematics , materials science , computer graphics (images) , azimuth , evolutionary biology , computer science , metallurgy , composite material , biology
The general theory of Raman band contours of symmetric tops is discussed briefly, and a program for the calculation of the band contours for the degenerate bands of prolate and oblate symmetric tops is described. The band contours as a function of the Coriolis coupling constant, zeta, have been computed for the range ζ = −1.0 to + 1.0 and for values of beta ( A / B –1) ranging from −0.5 (planar oblate top) to + 3.0. The results, which are presented in tabular and graphical form, can be used to determine approximate values of zeta from the contours of unresolved bands for molecules in which the selection rules are restricted to Δ K = ± 1 or Δ K = ± 2. Limitations and sources of error are discussed.