Gas-phase ion chemistry of BF3/CH4 mixtures: Activation of methane by BF2+ ions (Articolo in rivista)

Type
Label
  • Gas-phase ion chemistry of BF3/CH4 mixtures: Activation of methane by BF2+ ions (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Alternative label
  • Pepi, F.; Tata, A.; Garzoli, S.; Rosi, M. (2008)
    Gas-phase ion chemistry of BF3/CH4 mixtures: Activation of methane by BF2+ ions
    in Chemical physics letters (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Pepi, F.; Tata, A.; Garzoli, S.; Rosi, M. (literal)
Pagina inizio
  • 21 (literal)
Pagina fine
  • 27 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 461 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
  • DO10.1016/j.cplett.2008.06.083I: (literal)
Note
  • ISI Web of Science (WOS) (literal)
Titolo
  • Gas-phase ion chemistry of BF3/CH4 mixtures: Activation of methane by BF2+ ions (literal)
Abstract
  • The gas-phase ion chemistry of BF3/CH4 mixtures was investigated by the joint application of mass-spectrometric and ab initio theoretical methods. The addition of BF2+ to CH4 led to the observation of BF2CH4+ and BFCH3+ ions in the gas phase. Collisionally activated dissociation (CAD) mass-spectrometric results and theoretical calculations performed at the B3LYP and CCSD(T) levels identified the F2B-CH4+ and F-B-CH3+ ions as the most stable isomers on the [BFnCHn+2](+) (n = 1, 2) potential energy surfaces. It is worth noting that C-N bond formation was observed when BFCH3+ ions were allowed to react with NH3. (C) 2008 Elsevier B.V. All rights reserved. (literal)
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