Literature DB >> 25880981

Do solid-to-solid polymorphic transitions in DL-norleucine proceed through nucleation?

Joost A van den Ende1, Mireille M H Smets, Daniël T de Jong, Sander J T Brugman, Bernd Ensing, Paul T Tinnemans, Hugo Meekes, Herma M Cuppen.   

Abstract

DL-Norleucine is a molecular crystal exhibiting two enantiotropic phase transitions. The high temperature α ↔ γ transition has been shown to proceed through nucleation and growth [Mnyukh et al., J. Phys. Chem. Solids, 1975, 36, 127]. We focus on the low temperature β ↔ α transition in a combined computational and experimental study. The temperature dependence of the structural and energetic properties of both polymorphic forms is nearly identical. Molecular dynamics simulations and nudged elastic band calculations of the transition process itself, suggest that the transition is governed by cooperative movements of bilayers over relatively large energy barriers.

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Year:  2015        PMID: 25880981     DOI: 10.1039/c4fd00214h

Source DB:  PubMed          Journal:  Faraday Discuss        ISSN: 1359-6640            Impact factor:   4.008


  2 in total

1.  Polymorphism and Modulation of Para-Substituted l-Phenylalanine.

Authors:  Leyla-Cann Sögütoglu; Martin Lutz; Hugo Meekes; René de Gelder; Elias Vlieg
Journal:  Cryst Growth Des       Date:  2017-11-08       Impact factor: 4.076

2.  On the mechanism of solid-state phase transitions in molecular crystals - the role of cooperative motion in (quasi)racemic linear amino acids.

Authors:  M M H Smets; E Kalkman; A Krieger; P Tinnemans; H Meekes; E Vlieg; H M Cuppen
Journal:  IUCrJ       Date:  2020-02-27       Impact factor: 4.769

  2 in total

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