INVESTIGADORES
GOMEZ ZAVAGLIA Andrea
artículos
Título:
Sarcosine (N-methylglycine) has been studied by matrix-isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d, p) and 6-31++G(d, p) basis set, respectively. Eleven different
Autor/es:
A. GÓMEZ-ZAVAGLIA, R. FAUSTO.
Revista:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Editorial:
Royal Society of Chemistry
Referencias:
Lugar: London; Año: 2003 vol. 5 p. 3154 - 3161
ISSN:
1463-9076
Resumen:
Neutral forms of glycine and their N-methylated derivatives, sarcosine (N-methylglycine) and N,Ndimethylglycine
were, for the first time, observed in the solid state pure compounds. The substances were
sublimated under high vacuum, quickly deposited onto a cold CsI substrate at 9 K and examined using FTIR
spectroscopy within the temperature range 9300 K. For all the compounds studied, the spectra obtained at 9 K
after deposition revealed the presence of both the neutral and zwitterionic amino acid forms. The identification
of the neutral forms and their vibrational signatures could be unequivocally established by taking into
consideration the available data for the matrix-isolated neutral monomeric and aggregated amino acids as well
as solid state data for acid and alkaline salts of glycine. Upon temperature increase, neutral forms convert nonreversibly
to the zwitterionic forms, as noticed by the systematic increase in the relative intensities of the
infrared bands ascribable to the latter species. Observation of aggregates of neutral amino acids in the solid
phase, together with the fact that the amount of the neutral forms observed reduces with increasing both the
temperatures of the cold substrate and of the vapour prior to deposition, enabled to conclude that the observed
(neutral form)!zwitterion conversion occurs in the solid state, to the therein most stable zwitterionic species,
and that intermolecular interactions in this phase should play an important role in the mechanism of proton
transfer.