Thermal, spectroscopic and DFT studies of solid benzamide

dc.contributorUniversidade Estadual Paulista (UNESP)
dc.creatorPerpetuo, Glauco Lini
dc.creatorGálico, Diogo Alves
dc.creatorGuerra, Renan Barrach
dc.creatorMoreira, Ralph
dc.creatorChierice, Gilberto Orivaldo
dc.creatorBannach, Gilbert
dc.date2016-03-02T13:03:40Z
dc.date2016-10-25T21:33:09Z
dc.date2016-03-02T13:03:40Z
dc.date2016-10-25T21:33:09Z
dc.date2014
dc.date.accessioned2017-04-06T10:06:04Z
dc.date.available2017-04-06T10:06:04Z
dc.identifierBrazilian Journal of Thermal Analysis, v. 3, n. 1-2, p. 5-10, 2014.
dc.identifier2316-9842
dc.identifierhttp://hdl.handle.net/11449/135643
dc.identifierhttp://acervodigital.unesp.br/handle/11449/135643
dc.identifier9182997345456363
dc.identifierhttp://www.bjta.iiatbr.org/ojs-2.4.3/index.php/bjta/article/view/23
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/946149
dc.descriptionThermogravimetry (TG), differential thermal analysis (DTA), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), and DFT theoretical calculations were used to study benzamide. The TG-DTA and DSC curves provided information concerning the melting point, evaporation and thermal stability of the compound. Using the FTIR technique it was possible to confirm the evaporation of the compound with no degradation. Density functional theory (DFT) at the 6-311++G (3df, 3dp) level, provided information regarding the energies involved in HOMO-LUMO transitions and the chemical stability of the compound.
dc.languageeng
dc.relationBrazilian Journal of Thermal Analysis
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectBenzamide
dc.subjectEvaporation
dc.subjectFTIR
dc.subjectTG-DTA
dc.subjectDSC
dc.titleThermal, spectroscopic and DFT studies of solid benzamide
dc.typeOtro


Este ítem pertenece a la siguiente institución