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Title: Low-temperature infrared spectra and hydrogen bonding in polycrystalline dl-serine and deuterated derivatives
Authors: Jarmelo, S. 
Reva, I. 
Rozenberg, M. 
Carey, P. R. 
Fausto, R. 
Keywords: dl-serine; H-bonding; Low-temperature IR spectra; Isotopic dilution
Issue Date: 2006
Citation: Vibrational Spectroscopy. 41:1 (2006) 73-82
Abstract: The FT-IR spectra of polycrystalline dl-serine [[alpha]-amino-[beta]-hydroxypropionic acid; HO-CH2-CH(NH3)+-COO-] and isotopically substituted [ND/ODAlcohol (<10% and >90% D); CD2 (>98% D)] dl-serine were recorded in the range 4000-500 cm-1 in the temperature range 300-10 K, and fully assigned. The isotopic-doping/low-temperature methodology, which allows for decoupling of individual proton vibrational modes from the crystal bulk vibrations, was used to estimate the energies of the different H-bonds present in dl-serine crystal. To this end, the frequency shifts observed in both the NH/OH stretching and out-of-plane bending spectral regions (relatively to reference values for these vibrations in non-hydrogen-bonded dl-serine molecules) were used, together with previously developed empirical correlations. The results are compared with available structural data on this amino acid.
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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