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      https://www.ias.ac.in/article/fulltext/pram/071/01/0133-0141

    • Keywords

       

      Molecular conformation; structure; correlations; neutron diffraction.

    • Abstract

       

      An analysis of neutron diffraction data of liquid deuterated 1-propanol at room temperature to extract its molecular conformation is presented. Being a big molecule with twelve atomic sites, the analysis is tricky and needs careful consideration. The resulting molecular parameters are compared with electron diffraction (gas phase), X-ray diffraction (liquid phase) and MD simulation results. Information about the hydrogen-bonded intermolecular structure in liquid is extracted and nature of the probable molecular association suggested.

    • Author Affiliations

       

      A Sahoo1 S Sarkar2 P S R Krishna3 V Bhagat1 R N Joarder1

      1. Department of Physics, Jadavpur University, Kolkata 700 032, India
      2. Department of Physics, Techno India, Kolkata 700 091, India
      3. Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085, India
    • Dates

       
  • Pramana – Journal of Physics | News

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