Vibrational analysis of α-cyanohydroxycinnamic acid.
In the present study, a comparative Raman vibrational analysis of alpha-cyano-4-hydroxycinnamic acid (4CHCA) and its derivative, alpha-cyano-3-hydroxycinnamic acid (3CHCA), was performed. The Raman spectra of the 4CHCA and 3CHCA in solid form were obtained and analyzed to determine differences between the two structurally similar derivatives. For comparison, the CHCA derivatives cyanocinnamic acid (CCA) and coumaric acid (CA) were also studied. The plausible vibrational assignments were made and matched with those obtained theoretically using density functional theory (DFT) based method employing a 6-31 g basis set. The computational wavenumbers obtained were in good agreement with the observed experimental results. This was the first reported Raman study of CCA, 3CHCA and 4CHCA.
Department of Chemistry and Physical Sciences, Pace University, One Pace Plaza, New York, NY 10029, United States.
Elmer-Rico E
ER
Mojica
Department of Chemistry, York College, Institute for Macromolecular Assemblies and the Graduate Center of the City University of New York, Jamaica, NY 11451, United States.
Jayson
J
Vedad
Department of Chemistry, York College, Institute for Macromolecular Assemblies and the Graduate Center of the City University of New York, Jamaica, NY 11451, United States.
Ruel Z B
RZ
Desamero
Alpha-cyano-3-hydroxycinnamic acid; Alpha-cyano-4-hydroxycinnamic acid; Cyanocinnamic acid; Density functional theory; Raman