Rotational spectrum of trifluoroacetone (Articolo in rivista)

Type
Label
  • Rotational spectrum of trifluoroacetone (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/j.jms.2009.11.004 (literal)
Alternative label
  • Evangelisti, Luca ; Favero, Laura B; Maris, Assimo ; Melandri, Sonia; Vega-Toribio, Alicia; Lesarri, Alberto ; Caminati, Walther (2010)
    Rotational spectrum of trifluoroacetone
    in Journal of molecular spectroscopy (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Evangelisti, Luca ; Favero, Laura B; Maris, Assimo ; Melandri, Sonia; Vega-Toribio, Alicia; Lesarri, Alberto ; Caminati, Walther (literal)
Pagina inizio
  • 65 (literal)
Pagina fine
  • 69 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 259 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Bologna, Dipartimento Chim G Ciamician; CNR, ISMN, Sez Bologna; Univ Bologna, Dipartimento Chim G Ciamician; Univ Bologna, Dipartimento Chim G Ciamician; Univ Valladolid, Fac Ciencias, Dept Quim Fis & Quim Inorgan; Univ Valladolid, Fac Ciencias, Dept Quim Fis & Quim Inorgan; Univ Bologna, Dipartimento Chim G Ciamician (literal)
Titolo
  • Rotational spectrum of trifluoroacetone (literal)
Abstract
  • The rotational spectra of 5 isotopologues of 1,1,1-trifluoroacetone have been assigned using pulsed-jet Fourier-transform microwave spectroscopy. All rotational transitions appear as doublets, due to the internal rotation of the methyl group. Analysis of the tunneling splittings using both the principal axis method (PAM) and the combined axis method (CAM) methods allows to determine accurately the height of the threefold barrier to internal rotation of the methyl group, and its orientation, leading to V(3) = 3.28 and 3.10 kJ mol(-1), respectively. The r(s) geometry of the molecular skeleton, a partial r(0) structure of the molecule and supporting ab initio calculations are also reported. (literal)
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