Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/51112
DC FieldValueLanguage
dc.contributor.authorDuncan, J. L.en_US
dc.contributor.authorMcKean, D. C.en_US
dc.contributor.authorTullini, F.en_US
dc.contributor.authorNivellini, G. D.en_US
dc.contributor.authorPerez Peña, J.en_US
dc.date.accessioned2018-11-24T21:33:35Z-
dc.date.available2018-11-24T21:33:35Z-
dc.date.issued1978en_US
dc.identifier.issn0022-2852en_US
dc.identifier.urihttp://hdl.handle.net/10553/51112-
dc.description.abstractThe infrared gas-phase spectra of CH3CN, 13CH3CN, CH313CN, CH3C15N, CD3CN, and CD313CN have been studied in detail, in order to determine accurately the fundamental vibration frequency displacements on heavy isotopic substitution. A number of important Fermi resonances have been identified, and treated quantitatively. The unperturbed fundamental frequencies and heavy isotopic displacements form a self-consistent set of data, which, together with Coriolis zeta and centrifugal distortion constants, enable the harmonic potential function of methyl cyanide to be determined with only one constraint. A comparison between the latter and results from an ab initio calculation reveals disagreement in the values of two interaction constants, which seem well outside our experimental error. Infrared frequencies in crystalline films of CD3CN and CD313CN at 78 K are also reported.en_US
dc.languageengen_US
dc.publisher0022-2852-
dc.relation.ispartofJournal of Molecular Spectroscopyen_US
dc.sourceJournal of Molecular Spectroscopy [ISSN 0022-2852], v. 69, p. 123-140en_US
dc.subject221020 Espectroscopia molecularen_US
dc.subject2210 Química físicaen_US
dc.titleMethyl cianide. Spectroscopic studies of isotopically substituted species, and the harmonic potential functionen_US
dc.typeinfo:eu-repo/semantics/articleen_US
dc.typeArticleen_US
dc.identifier.doi10.1016/0022-2852(78)90033-4en_US
dc.identifier.scopus49349138531-
dc.contributor.authorscopusid36107803400-
dc.contributor.authorscopusid24749858700-
dc.contributor.authorscopusid6506202276-
dc.contributor.authorscopusid9738181900-
dc.contributor.authorscopusid7004839316-
dc.description.lastpage140-
dc.description.firstpage123-
dc.relation.volume69-
dc.investigacionCienciasen_US
dc.type2Artículoen_US
dc.utils.revisionen_US
item.fulltextSin texto completo-
item.grantfulltextnone-
crisitem.author.deptDepartamento de Química-
crisitem.author.deptFotocatálisis y espectroscopía para aplicaciones medioambientales. Unidad asociada al CSIC a través del Instituto de Ciencias de Materiales de Sevilla-
crisitem.author.deptIU de Estudios Ambientales y Recursos Naturales-
crisitem.author.orcid0000-0003-1889-2281-
crisitem.author.parentorgIU de Estudios Ambientales y Recursos Naturales-
crisitem.author.fullNamePérez Peña, Jesús-
crisitem.author.departamentoQuímica-
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