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High‐resolution stimulated Raman spectroscopy and analysis of the ν 1 band of osmium tetroxide
Author(s) -
Louviot M.,
Boudon V.,
Bermejo D.,
Martínez R. Z.,
Manceron L.
Publication year - 2013
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.4144
Subject(s) - raman spectroscopy , osmium , osmium tetroxide , chemistry , infrared , molecule , resolution (logic) , analytical chemistry (journal) , nuclear magnetic resonance , ruthenium , physics , optics , biochemistry , electron microscope , organic chemistry , chromatography , catalysis , artificial intelligence , computer science
We present the first high‐resolution stimulated Raman study of osmium tetroxide (OsO 4 ). Lines from the ν 1 totally symmetric stretching fundamental have been assigned. These data together with the infrared assignments of the ν 3 band previously recorded (M. Louviot et al ., J. Quant. Spectrosc. Radiat. Transfer , 2012, 113, 119–127) allowed a refinement of the analysis of the ν 1 / ν 3 stretching dyad. We found that the ν 1 band has an unusual positive isotopic shift of approximately 0.32 cm − 1 /amu, which gives further evidence that the stretching dyad should be perturbed by a complex nearby bending band polyad. This work is part of a global effort to analyze all fundamental bands of OsO 4 to obtain a more precise experimental value of the ground state bond length for this heavy metal‐containing molecule. The result could serve as a benchmark for high‐level quantum chemistry calculations. Copyright © 2012 John Wiley & Sons, Ltd.