Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/17906
Title: Spontaneous self-association of adenine and uracil in polycrystals from low temperature FTIR spectra in the range below 1000 cm−1
Authors: Rozenberg, M. 
Shohama, G. 
Reva, I. 
Fausto, R. 
Issue Date: Nov-2005
Publisher: Elsevier B.V.
Serial title, monograph or event: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume: 62
Abstract: FTIR spectra of solid samples of co-crystallized adenine and uracil were measured at 10 K in the range below 1000 cm−1. New bands ascribable to the N3H (uracil) and NH2 (adenine) out of plane vibrations, which disappear upon D-exchange, were revealed in comparison with the spectra of pure polycrystalline adenine and uracil obtained in the same conditions. The observed changes relate to the same groups that establish the H-bonds in base pairs of naturally occurring nucleic acids, despite the presence of an extra proton donor NH-group in both molecules. The well-established empirical correlation between the out of plane NH vibrational frequencies and H-bond energies was successfully applied for estimation of the latter in the mixed crystal.
URI: http://hdl.handle.net/10316/17906
DOI: 10.1016/j.saa.2004.12.037
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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