@prefix prodottidellaricerca: . @prefix istituto: . @prefix prodotto: . istituto:CDS054 prodottidellaricerca:prodotto prodotto:ID33684 . @prefix rdf: . prodotto:ID33684 rdf:type prodotto:TIPO1101 . @prefix retescientifica: . prodotto:ID33684 rdf:type retescientifica:ProdottoDellaRicerca . @prefix rdfs: . prodotto:ID33684 rdfs:label "High resolution FTIR spectra and analysis of the n11 fundamental and of the n2+n11, n5+n12 and n7+n16 combination of 12C6D6 (Articolo in rivista)"@en . @prefix xsd: . @prefix pubblicazioni: . prodotto:ID33684 pubblicazioni:anno "2002-01-01T00:00:00+01:00"^^xsd:gYear . @prefix skos: . prodotto:ID33684 skos:altLabel "
Snels M., Hollenstein H., Quack M., Cane?E., Miani A., Trombetti A. (2002)
High resolution FTIR spectra and analysis of the n11 fundamental and of the n2+n11, n5+n12 and n7+n16 combination of 12C6D6
in Molecular physics (Print)
"^^rdf:HTML ; pubblicazioni:autori "Snels M., Hollenstein H., Quack M., Cane?E., Miani A., Trombetti A."^^xsd:string ; pubblicazioni:paginaInizio "981"^^xsd:string ; pubblicazioni:paginaFine "1001"^^xsd:string ; pubblicazioni:numeroVolume "100"^^xsd:string . @prefix ns9: . prodotto:ID33684 pubblicazioni:rivista ns9:ID294365 ; pubblicazioni:note "x"^^xsd:string ; skos:note "ISI Web of Science (WOS)"^^xsd:string ; pubblicazioni:titolo "High resolution FTIR spectra and analysis of the n11 fundamental and of the n2+n11, n5+n12 and n7+n16 combination of 12C6D6"^^xsd:string ; prodottidellaricerca:abstract "We report results from measurements of the high resolution FTIR spectrum \nfor the fully deuterated benzene molecule C6D6 in the range 450-3500 cm\n(1). Accurate spectroscopic constants have been obtained for the \nfundamental vibration nu(11) at 496.208 cm(1) and improved ground state \nconstants have been deduced from a fit of ground state combination \ndifferences. The J structure of the combination parallel bands nu(2) + nu\n(11) (at 2798.1 cm(1)), nu(5) + nu(12) (1802.5 cm(1)) and nu(7) + nu(16) \n(2619.3 cm(1)) of C6D6 has been analysed as well, from which improved \nvalues of the band origin and of the B and DJ constants of the excited \nstates have been obtained. The strongest hot bands accompanying these \nparallel transitions have been assigned by means of the anharmonic force \nfield calculated by MASLEN et al. [1992, J. chem. Phys., 97, 4233]. In \nparticular (nu(11) + nu(16)) - nu(16) is assigned to the band at 492.4 cm\n(1) even though its shape is typical of a perpendicular transition (PAPE). \nNew values for the nu(5), nu(12) and nu(16) band origins are determined \nfrom the band origins of combination bands and from calculated anharmonic \nconstants. Numerous anharmonic constants are derived from the assignment \nof hot band and combination transitions." ; prodottidellaricerca:prodottoDi istituto:CDS054 . ns9:ID294365 pubblicazioni:rivistaDi prodotto:ID33684 .