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  2. Normal vibrational analysis of a trans-planar syndiotactic polystyrene chain

Normal vibrational analysis of a trans-planar syndiotactic polystyrene chain Artículos académico

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Resumen

  • The full vibrational spectra of α and β 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.

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  • Fin de la pobreza

autores

  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    Alexandra R. Albunia
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    Bartolomeo Civalleri
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    Cesare Pisani
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    F Javier Torres
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    Gaetano Guerra
  • http://research-hub.urosario.edu.co/ontology/vlocal#ExcludedPerson
    Pellegrino Musto

Publicado en

  • Journal of Physical Chemistry B Revistas

fecha de publicación

  • junio 14, 2007

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Identificador de objeto digital (DOI)

  • https://doi.org/10.1021/jp072257q

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