Structure, vibrational spectra and DFT characterization of the intra-and inter-molecular interactions in 2-hydroxy-5-methylpyridine-3-carboxylic acid–Normal modes of …

…, E Kucharska, J Hanuza, J Lorenc, J Michalski…

Index: Godlewska; Janczak; Kucharska; Hanuza; Lorenc; Michalski; Dyminska; Weglinski Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2014 , vol. 120, p. 304 - 313

Full Text: HTML

Citation Number: 5

Abstract

Abstract Fourier transform IR and Raman spectra, XRD studies and DFT quantum chemical calculations have been used to characterize the structural and vibrational properties of 2- hydroxy-5-methylpyridine-3-carboxylic acid. In the unit-cell of this compound two molecules related by the inversion center interact via O single bond