Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity

Authors

  • Vincent Liégeois,

    1. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur, Belgium
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  • Olivier Quinet,

    Corresponding author
    1. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur, Belgium
    • Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur, Belgium
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  • Benoît Champagne

    1. Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur, Belgium
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Abstract

Using theoretical simulations on polyethylene segments, it is demonstrated that vibrational Raman optical activity is highly sensitive to helicity, more than the conventional Raman technique. Therefore, it can be used to probe helicity and conformations of synthetic polymers. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2006

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