Normal Vibrational Analysis of a Trans-planar Syndiotactic Polystyrene Chain (Articolo in rivista)

Type
Label
  • Normal Vibrational Analysis of a Trans-planar Syndiotactic Polystyrene Chain (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp072257q (literal)
Alternative label
  • F. J. Torres, B. Civalleri, C. Pisani, P. Musto, A. R. Albunia, G. Guerra (2007)
    Normal Vibrational Analysis of a Trans-planar Syndiotactic Polystyrene Chain
    in The journal of physical chemistry. B
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • F. J. Torres, B. Civalleri, C. Pisani, P. Musto, A. R. Albunia, G. Guerra (literal)
Pagina inizio
  • 6327 (literal)
Pagina fine
  • 6335 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 111 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
  • No. Citazione=1; Autocitazione=1; Motore utilizzato per le citazioni=Google Scholar (literal)
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • ICTP CNR, Dipartimento di Chimica Università di Torino, Dipartimento di Chimica Università di Salerno. (literal)
Titolo
  • Normal Vibrational Analysis of a Trans-planar Syndiotactic Polystyrene Chain (literal)
Abstract
  • The full vibrational spectra of a and /3 crystalline phases of syndiotactic polystyrene (sPS), that is, phases presenting the trans-planar conformation, have been experimentally determined and compared with that calculated at the B3LYP/6-31G(d,p) level of theory for an infinite trans-planar chain. The normal vibrational analysis of most representative modes of the periodic model allowed us to give a general description of each one, which was further confirmed by the direct inspection of mode animations. An assignment of the different modes was performed in terms of frequency, relative intensity, and direction of the transition-moment vector of the observed IR peaks as well as Raman vibrational frequencies. (literal)
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