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Normal vibrational analysis of a trans-planar syndiotactic polystyrene chain

Abstract:

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. © 2007 American Chemical Society.

Año de publicación:

2007

Keywords:

    Fuente:

    scopusscopus
    googlegoogle

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Polímero
    • Química física
    • Ciencia de materiales

    Áreas temáticas:

    • Química orgánica

    Contribuidores:

    Musto P.Musto P.
    Fernando Javier TorresFernando Javier Torres
    Civalleri B.Civalleri B.
    Pisani C.Pisani C.
    Albunia A.R.Albunia A.R.
    Guerra G.Guerra G.