Structures and energetics of axial and equatorial 1-methyl-1-silacyclohexane (Articolo in rivista)

Type
Label
  • Structures and energetics of axial and equatorial 1-methyl-1-silacyclohexane (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/om060257r (literal)
Alternative label
  • Laura B. Favero; Biagio Velino; Walther Caminati; Ingvar Árnason; Ágúst Kvaran (2006)
    Structures and energetics of axial and equatorial 1-methyl-1-silacyclohexane
    in Organometallics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Laura B. Favero; Biagio Velino; Walther Caminati; Ingvar Árnason; Ágúst Kvaran (literal)
Pagina inizio
  • 3813 (literal)
Pagina fine
  • 3816 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 25 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Istituto per lo Studio dei Materiali Nanostrutturati (ISMN, Sezione di Bologna), CNR, Via Gobetti 101, I-40129 Bologna, Italy; Dipartimento di Chimica Fisica e Inorganica dell'UniVersita` di Bologna,Viale Risorgimento 4, I-40136 Bologna, Italy; Dipartimento di Chimica \"G. Ciamician\" dell'UniVersita` di Bologna, Via Selmi 2, I-40126 Bologna, Italy; Science Institute, UniVersity of Iceland, Dunhaga 3, 107 ReykjaV?´k, Iceland; Science Institute, UniVersity of Iceland, Dunhaga 3, 107 ReykjaV?´k, Iceland; (literal)
Titolo
  • Structures and energetics of axial and equatorial 1-methyl-1-silacyclohexane (literal)
Abstract
  • The structural differences and the relative energies for the axial and equatorial forms of 1-methyl-1-silacyclohexane have been obtained from the rotational spectra of the normal, 29Si, and all 13C isotopologues of the axial and equatorial forms, observed by molecular beam Fourier transform microwave spectroscopy. The two species appear to have the same energy, within uncertainty limits, ¢E ) 0.0 ( 0.2 kcal/mol. Structural parameters (r0 and rs) are given for the two forms. The main structural differences are discussed. Potential barriers for the methyl group internal rotations (V3) have been determined for both conformers to be 1.26(1) and 1.48(2) kcal/mol for the axial and equatorial species, respectively. (literal)
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