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dc.creatorEspinosa Fuentes, Eduardo Antonio
dc.creatorMeza Fuentes, Edgardo
dc.creatorColpas Castillo, Fredy
dc.creatorCastro Suarez, John R.
dc.creatorChiquillo Correa, Gilberto
dc.creatorMora, Malka
dc.date.accessioned2018-11-17T20:50:11Z
dc.date.available2018-11-17T20:50:11Z
dc.date.issued2018-06
dc.identifier.issn0012-7353
dc.identifier.urihttp://hdl.handle.net/11323/1278
dc.description.abstractThis work deals with the comparison of the theoretical assignment of the DADP vibrational spectrum with the experimental displacements by isotopic labeling. For this, the DADP-C4 and DADP-C2 isotopomers were synthesized from acetone labeled isotopically in the methyl and the carbonyl carbon atoms, respectively. The acetone and DADP-isotopomer compounds were characterized using Raman and infrared spectroscopy. Theoretical assignments were taken from previous studies on the potential energy distribution of a vibrational mode, which provide an approach to the internal coordinates related to each band. The selective isotopic labeling allowed us to approach to the dependence of each band, because the energy of a molecular vibration also depends on the reciprocal mass of the atoms involved. In general, the results showed that some bands assigned experimentally do not coincide with the theoretical assignments by quantum mechanical simulations.es_CO
dc.language.isoengen_US
dc.publisherDYNA (Colombia)en_US
dc.rightsAtribución – No comercial – Compartir igualen_US
dc.subjectDiacetone Diperoxideen_US
dc.subjectIsotopomeren_US
dc.subjectMolecular Vibrationen_US
dc.subjectRaman And Infrared Spectroscopyen_US
dc.titleVerification Of The Vibrational Theoretical Assignment Of The DADP Using Isotopic Labellingen_US
dc.title.alternativeVerificación De La Asignación Vibracional Teórica De DADP Usando Marcaje Isotópicoen_US
dc.typearticleen_US


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