• What is the maximum yield in the solid state cinnamic acid dimerisation? A combinatorial mathematical approach

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    • Keywords

       

      Configuration; recurrence relation; power series; partial fractions; topochemistry; cinnamic acid; photodimerisation; maximum yield

    • Abstract

       

      Recurrence relations have been employed to obtain the maximum possible theoretical conversion in a topochemically controlled organic solid state reaction. Experimental deviations from this analytical value of ≈82% reflect the importance of defects, molecular relaxation and surface phenomena in real crystals.

    • Author Affiliations

       

      Gautam R Desiraju1 V Kannan2

      1. School of Chemistry, University of Hyderabad, Central University PO, Hyderabad - 500 134, India
      2. School of Mathematics, University of Hyderabad, Central University PO, Hyderabad - 500 134, India
    • Dates

       
  • Journal of Chemical Sciences | News

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