L-2-Hydroxypropionic acid in aqueous solution— a vibrational spectroscopic and computational study

Fekete, Zoltán and Körtvélyesi, Tamás and Andor, J. and Pálinkó, István (2003) L-2-Hydroxypropionic acid in aqueous solution— a vibrational spectroscopic and computational study. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 666-67. pp. 159-162. ISSN 0166-1280

Text 1143724.pdf Restricted to Registered users only Download (171kB) | Request a copy

Abstract

The hydrogen-bonded dimers Of L-2-hydroxypropionic were studied by FT-IR and Raman spectroscopies and computational methods. The structures of the possible dimers were calculated at the level of ab initio (HF/6-31G(d,p)) quantum chemical method. Calculations on the isolated monomer and dimers revealed a number of possible conformers. Comparison of the calculated and the measured spectra allowed us to choose the dimers most probably present in the aqueous solution of the acid. (C) 2003 Elsevier B.V. All rights reserved.

Actions (login required)

Edit Item