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Nucleation of Organic Crystals—A Molecular Perspective
Author(s) -
Davey Roger J.,
Schroeder Sven L. M.,
ter Horst Joop H.
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201204824
Subject(s) - nucleation , crystallization , molecular dynamics , materials science , chemical physics , process (computing) , nanotechnology , crystal (programming language) , classical nucleation theory , chemistry , thermodynamics , computational chemistry , computer science , physics , programming language , operating system
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.