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Thermal decomposition of allantoin as probed by matrix isolation FTIR spectroscopy
Kuş, N.; Bayarı, S. Haman; Fausto, R.The optimized geometries, energies of the possible conformers of allantoin (2,5-dioxo-4-imidazolidinyl urea, the diureide of glyoxylic acid) as well as the barriers for conformational interconversion have been calculated using the density functional theory [DFT(B3LYP)/6-311++G(d,p)] method. The calculations predicted the existence of four conformers (gC, tT, g′C, and g′T; where the first and second symbols in t...
In situ direct photoproduction of ketenes from substituted coumarins isolated i...
Kuş, N.; Breda, S.; Fausto, R.In this study, the infrared spectrum of N-(2-oxo-2H-chromen-3-yl)acetamide (3-acetamidocoumarin; 3AC) isolated in solid argon, at 10 K, was obtained and assigned. In consonance with the relative energies of the three conformers predicted theoretically, only the most stable form was observed experimentally. This conformer is stabilized by two intramolecular hydrogen bonds and is similar to the structural unit of...
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