• Title of article

    Chemical shift tensors for the aromatic carbons in polystyrene

  • Author/Authors

    Colhoun، نويسنده , , F.L and Armstrong، نويسنده , , R.C and Rutledge، نويسنده , , G.C، نويسنده ,

  • Issue Information
    دوهفته نامه با شماره پیاپی سال 2002
  • Pages
    6
  • From page
    609
  • To page
    614
  • Abstract
    Chemical shift tensors (CST) for the protonated aromatic carbons in polystyrene are presented. Experimental difficulties preclude the direct measurement of these tensors. The values reported are obtained from quantum chemical calculations on 2-phenyl propane using the 6-31G basis set, after testing other basis sets against similar compounds for which the chemical shift anisotropies are known. Corrections for narrowing of the chemical shift anisotropy due to the molecular motions at finite temperatures are also reported.
  • Keywords
    polystyrene , Chemical shift tensors , Quantum chemical modeling
  • Journal title
    Polymer
  • Serial Year
    2002
  • Journal title
    Polymer
  • Record number

    1716378