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© Research
Publication : Journal of the American Chemical Society

IRMPD spectroscopy shows that AGG forms an oxazolone b2+ ion

Scientific Fields
Diseases
Organisms
Applications
Technique

Published in Journal of the American Chemical Society - 31 Dec 2008

Yoon SH, Chamot-Rooke J, Perkins BR, Hilderbrand AE, Poutsma JC, Wysocki VH

Link to Pubmed [PMID] – 19061412

J. Am. Chem. Soc. 2008 Dec;130(52):17644-5

Infrared multiple photon dissociation (IRMPD) spectroscopy combined with theoretical vibrational spectra provides a powerful tool for probing structure. This technique has been used to probe the structure of protonated cyclic AG and the b(2)(+) ion from AGG. The experimental spectrum for protonated cyclo AG compares very well with the theoretical spectra for a diketopiperazine. The spectrum corresponds best to a combination of two structures protonation at the alanine and glycine amide oxygens. The experimental spectrum for the b(2)(+) ion from protonated AGG matches best to the theoretical spectrum for an oxazolone structure protonated on the ring nitrogen. In particular, the carbonyl stretching band at 1970 cm(-1) is blue-shifted by approximately 200 cm(-1) compared to the experimental spectrum for protonated cAG, indicating that these two structures are distinct. This is the first time that an IRPD spectrum of a b(2)(+) ion has been obtained and, for this ion, the oxazolone structure proposed based on prior calculations and experiments is confirmed by the spectroscopic method.

http://www.ncbi.nlm.nih.gov/pubmed/19061412