Raman spectroscopy and DFT calculations of para-coumaric acid and its deprotonated species

Vibrational Spectroscopy

Volumn 58, Issue , 2012, Pages 139-145

  Cunha, Vanessa R R ^a   Constantino, Vera R L ^a   Ando, Rômulo A ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Antioxidant; Biophenols; Hydroxycinnamic acid; Infrared; Phenolic acids; Semiquinone

Indexed keywords

ANTIOXIDANT; ASYMMETRIC STRETCHING; BIOLOGICAL ACTIVITIES; BIOPHENOLS; BLUE SHIFT; CARBOXYL GROUPS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DEPROTONATED SPECIES; DFT CALCULATION; ELECTRONIC DELOCALIZATION; ELECTRONIC TRANSITION; GEOMETRIC PARAMETER; NEUTRAL SPECIES; ORGANIC SPECIES; P-COUMARIC ACID; PHENOLIC ACIDS; PHENOLIC COMPOUNDS; PHENOLIC MOIETY; PROTONATION STATE; QUINOID STRUCTURE; RAMAN DATA; RAMAN SPECTRUM; SEMIQUINONES; SODIUM SALT; SPECTRAL DATA; SPECTRAL FEATURE; VIBRATIONAL SPECTROSCOPIC ANALYSIS;

CARBOXYLATION; CHROMOPHORES; DENSITY FUNCTIONAL THEORY; INFRARED RADIATION; ORGANIC ACIDS; PHENOLS; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SALTS; SPECTROSCOPIC ANALYSIS; STYRENE; THERMOANALYSIS; VIBRATION ANALYSIS; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS;

SPECTRUM ANALYSIS;

EID: 84855784390     PISSN: 09242031     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.vibspec.2011.12.007     Document Type: Article

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