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Determination of A 0 and D k for CD 3 I from the ν 4 Raman and IR bands
Author(s) -
Poulsen Carsten,
Brodersen Svend
Publication year - 1983
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.1250140204
Subject(s) - raman spectroscopy , analytical chemistry (journal) , infrared , chemistry , deuterium , high resolution , resolution (logic) , crystallography , nuclear magnetic resonance , physics , atomic physics , optics , geology , remote sensing , chromatography , artificial intelligence , computer science
The ν 4 Raman band of CD 3 I has been recorded at a resolution of 0.28 cm −1 . A weighted least‐squares analysis, including data from the ν 4 infrared band recorded by Peterson and Edwards, gave A 0 = 2.59608±0.00010 cm −1 and D K = (1.98±0.10)x10 −5 cm −1 in addition to values for ν, (Aζ) 4 , ΔA and ΔB The ν 4 state is essentially unperturbed. Using literature values for the α A constants, A e was calculated as 2.6200±0.0008 cm −1 , indicating a value of r e = 1.03192±0.00015 Å for the distance of the deuterium atoms from the figure axis.