title: Comment on "Density functional theory studies on molecular structure, vibrational spectra and electronic properties of cyanuric acid".
abstract: In a recently published paper [Spectrochim. Acta A: Mol. Biomol. Spect. 138 (2015) 711-722], Prabhaharan, Prabakaran, Srinivasan, and Gunasekaran presented a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of cyanuric acid, and explain their findings using the tri-hydroxy tautomeric form of the compound. In reality, the compound adopts the tri-oxo tautomeric form, which is by over 100kJmol(-1) more stable comparatively to the tri-hydroxy tautomer discussed and characterized by Prabhaharan et al.
authors.affiliation: CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal. Electronic address: reva@qui.uc.pt.
authors.forename: Igor
authors.initials: I
authors.lastname: Reva
mesh_terms: D004583:Electrons; D008958:Models, Molecular; D011789:Quantum Theory; D013059:Spectrum Analysis, Raman; D014227:Triazines / Q000737:chemistry*; D014732:Vibration
chemical_list: D014227:Triazines
keywords: Cyanuric acid; Infrared spectra; Raman spectra; Tautomers