Nucleation of Organic Crystals—A Molecular Perspective

Authors

  • Prof. Roger J. Davey,

    Corresponding author
    1. School of Chemical Engineering and Analytical Sciences, University of Manchester, The Mill, Sackville Street, Manchester M13 9PL (UK)
    • School of Chemical Engineering and Analytical Sciences, University of Manchester, The Mill, Sackville Street, Manchester M13 9PL (UK)===

    Search for more papers by this author
  • Prof. Sven L. M. Schroeder,

    1. School of Chemical Engineering and Analytical Sciences, University of Manchester, The Mill, Sackville Street, Manchester M13 9PL (UK)
    2. School of Chemistry, University of Manchester, Brunswick Street, Manchester M13 9PL (UK)
    Search for more papers by this author
  • Prof. Joop H. ter Horst

    1. Intensified Reaction and Separation Systems, Process and Energy Department, Delft University of Technology, Delft (The Netherlands)
    Search for more papers by this author

Abstract

The outcome of synthetic procedures for crystalline organic materials strongly depends on the first steps along the molecular self-assembly pathway, a process we know as crystal nucleation. New experimental techniques and computational methodologies have spurred significant interest in understanding the detailed molecular mechanisms by which nuclei form and develop into macroscopic crystals. Although classical nucleation theory (CNT) has served well in describing the kinetics of the processes involved, new proposed nucleation mechanisms are additionally concerned with the evolution of structure and the competing nature of crystallization in polymorphic systems. In this Review, we explore the extent to which CNT and nucleation rate measurements can yield molecular-scale information on this process and summarize current knowledge relating to molecular self-assembly in nucleating systems.

Ancillary