Please use this identifier to cite or link to this item: http://hdl.handle.net/10553/51110
DC FieldValueLanguage
dc.contributor.authorDuncan, J. L.en_US
dc.contributor.authorMcKean, D. C.en_US
dc.contributor.authorMackenzie, M. W.en_US
dc.contributor.authorPerez Peña, J.en_US
dc.date.accessioned2018-11-24T21:32:38Z-
dc.date.available2018-11-24T21:32:38Z-
dc.date.issued1979en_US
dc.identifier.issn0022-2852en_US
dc.identifier.urihttp://hdl.handle.net/10553/51110-
dc.description.abstractInfrared gas phase spectra of CH3NC, 13CH3NC, CH315NC, CH3N13C, CD3NC, 13CD3NC, and CD315NC have been studied in detail, in order to determine accurate fundamental vibration frequency displacements on heavy isotopic substitution and Coriolis interaction constants for the degenerate fundamental vibrations. These data, along with the fundamental frequencies of CH3NC and CD3NC and centrifugal distortion constants for six isotopic species, form a self-consistent set of 105 data, which enable all 20 parameters of the general harmonic potential function of methyl isocyanide to be determined within narrow limits. Comparison with the predictions of ab initio calculations reveals disagreement in the values of three interaction constants, apparently well outside experimental error. Undetermined centrifugal distortion and Coriolis interaction constants are calculated for CH3NC and CD3NC to assist in future spectroscopic studies.en_US
dc.languageengen_US
dc.publisher0022-2852-
dc.relation.ispartofJournal of Molecular Spectroscopyen_US
dc.sourceJournal of Molecular Spectroscopy [ISSN 0022-2852], v. 76, p. 55-70en_US
dc.subject221020 Espectroscopia molecularen_US
dc.titleMethyl isocyanide. Spectroscopic studies of isotopically substituted species, and the general harmonic potential functionen_US
dc.typeinfo:eu-repo/semantics/articleen_US
dc.typeArticleen_US
dc.identifier.doi10.1016/0022-2852(79)90217-0en_US
dc.identifier.scopus0007658632-
dc.contributor.authorscopusid36107803400-
dc.contributor.authorscopusid24749858700-
dc.contributor.authorscopusid7103046059-
dc.contributor.authorscopusid7004839316-
dc.description.lastpage70-
dc.description.firstpage55-
dc.relation.volume76-
dc.investigacionCienciasen_US
dc.type2Artículoen_US
dc.utils.revisionen_US
dc.identifier.ulpgces
item.fulltextSin texto completo-
item.grantfulltextnone-
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.deptDepartamento de Química-
crisitem.author.orcid0000-0003-1889-2281-
crisitem.author.parentorgIU de Estudios Ambientales y Recursos Naturales-
crisitem.author.fullNamePérez Peña, Jesús-
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