• Planar ‘coupled water pair’ cluster in disordered solids: Theory of the1H NMR dipolar Hamiltonian

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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/102/06/0769-0780

    • Keywords

       

      Proton NMR powder lineshapes; planar water pair; dipolar Hamiltonian

    • Abstract

       

      The proton NMR dipolar interaction Hamiltonian is set up for the model of planar ‘coupled water pair’ clusters in disordered solids. The Hamiltonian, when analytically solved, leads to interesting predictions of structured dipolar lineshapes when (a) the four protons are tightly coupled and (b) when the dipolar interaction is modulated by water molecules flipping between fixed directions. Detailed features of the line positions and intensities are worked out for both these models, and a suitable formulation is presented for simulating powder lineshapes in a variety of experimental situations.

    • Author Affiliations

       

      P Raghunathan1 S Ray Siddharth1

      1. Department of Chemistry, Indian Institute of Technology, Kanpur - 208 016, India
    • Dates

       
  • Journal of Chemical Sciences | News

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