Potential Energy Surface of the Ring Puckering Motion in 1-Chloro-1-silacyclobutane (Articolo in rivista)

Type
Label
  • Potential Energy Surface of the Ring Puckering Motion in 1-Chloro-1-silacyclobutane (Articolo in rivista) (literal)
Anno
  • 1996-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1006/jmsp.1996.0093 (literal)
Alternative label
  • Laura B. Favero; Gianni Maccaferri; Walther Caminati; Martin Grosser; Marwan Dakkouri; (1996)
    Potential Energy Surface of the Ring Puckering Motion in 1-Chloro-1-silacyclobutane
    in Journal of molecular spectroscopy (Print); Academic Press, San Diego, California (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Laura B. Favero; Gianni Maccaferri; Walther Caminati; Martin Grosser; Marwan Dakkouri; (literal)
Pagina inizio
  • 321 (literal)
Pagina fine
  • 328 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#altreInformazioni
  • prodotto digitalizzato (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 176 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 2 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Istituto di Spettroscopia Molecolare del C.N.R., Via Gobetti 101, 1-40129, Bologna, Italy; Istituto di Spettroscopia Molecolare del C.N.R., Via Gobetti 101, 1-40129, Bologna, Italy; Dipartimento di Chimica \"G. Ciamician\" dell' Universita', Via Selmi 2,1-40126 Bologna, Italy; Abteilung für Elektrochemie, Universität Ulm, D-890869 Ulm, Germany; Abteilung für Elektrochemie, Universität Ulm, D-890869 Ulm, Germany; (literal)
Titolo
  • Potential Energy Surface of the Ring Puckering Motion in 1-Chloro-1-silacyclobutane (literal)
Abstract
  • The equatorial-axial conformational equilibrium of 1-chloro-1-silacyclobutane has been investigated by microwave spectroscopy and ab initio calculations. The potential energy function of the ring puckering motion has been determined: four vibrational states are localized in the equatorial well and two vibrational states in the axial well, all the remaining higher energy states lying above the interconversion barrier. This study has shown that the equatorial conformer is more stable than the axial one by 185(40) cm(-1). This value is in good agreement with that provided by ab initio calculations using the 6-31G* basis set. (literal)
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