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Raman spectra of n ‐butanoate ion ( d 0 , 2‐ d 2 , 3‐ d 2 and 4‐ d 3 ) in aqueous solution. Assignment to the conformers
Author(s) -
Raada N.,
Gaufrès R.,
Bribes J.L.,
Maillols J.,
Montginoul C.
Publication year - 1995
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.1250260204
Subject(s) - raman spectroscopy , chemistry , aqueous solution , ion , analytical chemistry (journal) , crystallography , physics , organic chemistry , optics
A vibrational study of the n ‐butanoate ion in aqueous solution was undertaken. Four isotopic species ( d 0 , 2‐ d 2 , 3‐ d 2 and 4‐ d 3 ) of the potassium n ‐butanoate were studied. A normal coordinate analysis was carried out, using the force fields established for the propanoate ion and for n ‐butane, according to the moiety of the n ‐butanoate ion being considered. The Raman spectra of aqueous solutions (2.5 M) and of the solid phases are described. A spectral subtraction method, which is discussed, was used in order to assign the observed bands, on the basis of their behaviour with temperature increase, to the trans and the gauche conformers. Finally, an assignment is proposed, taking into account all the experimental observations, for the four isotopic species, except in the δ(CH), v (CD) and v (CH) ranges.