

Vibrational spectra and normal coordinate analysis of lithium pyruvate monohydrate and its isotopic compounds
Kazuhiko Hanai (1,*)




(1) Graduate School of Natural Sciences, Nagoya City University, Mizuho-Ku, Nagoya 467-8501, Japan
(2) Graduate School of Natural Sciences, Nagoya City University, Mizuho-Ku, Nagoya 467-8501, Japan
(3) Division of Material Sciences, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-Machi, Kanazawa 920-1129, Japan
(4) Division of Material Sciences, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-Machi, Kanazawa 920-1129, Japan
(*) Corresponding Author
Received: 18 Dec 2013 | Revised: 31 Jan 2014 | Accepted: 01 Feb 2014 | Published: 30 Jun 2014 | Issue Date: June 2014
Abstract
IR and Raman spectra of lithium pyruvate monohydrate and its O- and C-deuterated and 13C- and 18O-substituted compounds have been recorded in the solid state, and the observed bands have been assigned by using the isotope effects and the normal coordinate calculations based on the gem-diol structure (lithium 2,2-dihydroxypropionate). The refined force constants have well reproduced the observed frequencies and the 13C- and 18O-shifts. These results support the structures of these compounds discussed by many authors. The potential energy distributions show that many vibrational modes are very complicated except for the well-known group vibrations. The additive property of the isotopic frequency shifts has also been discussed.
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DOI: 10.5155/eurjchem.5.2.305-310.1004
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