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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…

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

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被引用次数: 5

摘要

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