title: Temperature-dependent vibrational spectroscopic study and DFT calculations of the sorbic acid.
abstract: This work reports a temperature-dependent vibrational spectroscopic study of the sorbic acid (C6H8O2), as well as the mode assignment at ambient conditions, based on the density functional theory. Temperature-dependent vibrational properties have been performed in polycrystalline sorbic acid through both Raman and infrared spectroscopy in the 20-300 K and 80-300 K temperature ranges, respectively. These studies present the occurrence of some modifications in the Raman spectra that could be interpreted as a low temperature phase transition undergone by sorbic acid from the monoclinic phase to an unknown phase with conformational change of the molecules in the unit cell.
authors.affiliation: Faculdade de Educação Ciências e Letras do Sertão Central, Universidade Estadual do Ceará, CEP 63.900-000, Quixadá, CE Brazil. Electronic address: gilberto@fisica.ufc.br.
authors.forename: G D
authors.initials: GD
authors.lastname: Saraiva
authors.affiliation: Departamento de Física, Universidade Regional do Cariri, Crato, CE 63010-970, Brazil.
authors.forename: C E S
authors.initials: CE
authors.lastname: Nogueira
authors.affiliation: Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, CEP 60455-760, Fortaleza, CE Brazil.
authors.forename: P T C
authors.initials: PT
authors.lastname: Freire
authors.affiliation: Instituto de Ciências Exatas, Universidade Federal do Sul e Sudeste do Pará, CEP 68.505-080, Marabá, PA Brazil.
authors.forename: F F
authors.initials: FF
authors.lastname: de Sousa
authors.affiliation: Universidade Federal do Cariri, 63000-000 Juazeiro do Norte, CE, Brazil.
authors.forename: J H
authors.initials: JH
authors.lastname: da Silva
authors.affiliation: Departamento de Física, Universidade Regional do Cariri, Crato, CE 63010-970, Brazil.
authors.forename: A M R
authors.initials: AM
authors.lastname: Teixeira
authors.affiliation: Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, CEP 60455-760, Fortaleza, CE Brazil.
authors.forename: J
authors.initials: J
authors.lastname: Mendes Filho
mesh_terms: D003460:Crystallization; D008958:Models, Molecular; D044367:Phase Transition; D013011:Sorbic Acid / Q000737:chemistry*; D013059:Spectrum Analysis, Raman; D013696:Temperature
chemical_list: D013011:Sorbic Acid
keywords: Phase transition; Raman spectroscopy; Sorbic acid; Temperature