Now showing items 1-3 of 3

    • 5-Methylhydantoin: from isolated molecules in a low-temperature argon matrix to solid state polymorphs characterization 

      Nogueira, Bernardo A.; Öğrüç Ildız, Gülce; Canotilho, J.; Eusebio, M. E. S.; Henriques, M. S. C.; Paixao, J. A.; Fausto, Rui (Amer Chemical Soc, 1155 16th St, Nw, Washington, Dc 20036 USA, 2017-07-20)
      The molecular structure, vibrational spectra and photochemistry of 5-methylhydantoin (C4H6N2O2; 5-MH) were studied by matrix isolation infrared spectroscopy and theoretical calculations at the DFT(B3LYP)/6-311++G(d,p) ...
    • Matrix Isolation Infrared Spectra and Photochemistry of Hydantoin 

      Öğrüç Ildız, Gülce; Nunes, Claudio M.; Fausto, Rui (Amer Inst Physics, 2 Huntington Quadrangle, Ste 1No1, Melville, Ny 11747-4501 USA, 2013-01-31)
      Hydantoin (C3H4N2O2, 2,4-imidazolidinedione) was isolated in argon matrix at 10 K and its infrared spectrum and unimolecular photochemistry were investigated. The molecular structure of the compound was studied both at the ...
    • Molecular Structure, Infrared Spectra, Photochemistry, and Thermal Properties of 1-Methylhydantoin 

      Nogueira, Bernardo A.; Öğrüç Ildız, Gülce; Canotilho, Joao; Eusebio, M. Ermelinda S.; Fausto, Rui (Amer Chemical Soc, 1155 16Th St, Nw, Washington, Dc 20036 Usa, 2014-08-07)
      The structural, vibrational, and photochemical study of 1-methylhydantoin (1-MM, C4H6N2O2) was undertaken by matrix isolation infrared spectroscopy (in argon matrix; 10 K), complemented by quantum chemical calculations ...