Crystallization of molecular systems from solution: phase diagrams, supersaturation and other basic concepts

Coquerel, Gérard

doi:10.1039/c3cs60359h

Cited by 117 publications

(97 citation statements)

References 30 publications

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“…6 For a general discussion of this problem and resolutions in general, see Kellogg and Leeman [24]. 7 For an excellent tutorial on use and significance of phase diagrams, see Coquerel [29]; for an older, but excellent, discussion of the basics of the use of phase diagrams, see Jacques et al [12,9]. A very detailed discussion of phase diagrams and manner of presentation is given [30].…”

Section: Dutch Resolutionmentioning

confidence: 99%

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How to Use Pasteur’s Tweezers

Kellogg

2015

Advances in Organic Crystal Chemistry

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Pasteur introduced two techniques to separate enantiomers. The common visual imagery is that of the first technique, which pertains to the use of tweezers to separate the mirror image crystals of a tartaric acid salt. A second method discovered thereafter, not restricted to the conglomerates necessary for the tweezer approach, is diastereomeric resolution. In this chapter, a short discussion is given of the basic principles of diastereomeric resolutions followed by short analysis of Dutch Resolution, a method based on the use of families of resolving agents. The role of specific nucleation inhibition is discussed. Attention is then turned to conglomerates. Preferential crystallisation is discussed briefly. Particular attention is paid to the discovery of near-equilibrium methods to separate (racemisable) conglomerates by employment of constant attrition of the growing crystals. This methodology has been extended to preparation of the chiral components of some major drugs, and the methodology has also been adapted to separation of nonracemisable conglomerates.

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Section: Dutch Resolutionmentioning

confidence: 99%

“…As emphasised by Coquerel [29], 7 a phase diagram refers to thermodynamic equilibrium (although, with care, kinetic aspects can be superimposed). Fortunately such pictures can often provide suitable templates for understanding of the kinetic effects that ultimately lead to thermodynamic equilibrium.…”

Section: Dutch Resolutionmentioning

confidence: 99%

How to Use Pasteur’s Tweezers

Kellogg

2015

Advances in Organic Crystal Chemistry

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“…Solvent-assisted crystallization techniques are widely applied to purify organic compounds [8][9][10]. Nevertheless, simple recrystallizations generally lead to limited purifying effects when the compound to purify exhibits a solid solution with the impurities.…”

Section: Introductionmentioning

confidence: 99%

“…Among many purification techniques like preparative chromatography [7], phase-separation-based methods, etc., crystallization is one of the most employed techniques to purify chemical species. It offers a large panel of methods that can be combined when appropriate, e.g., solventassisted crystallization [8,9], crystallization from the melt [10] or from the gas phase [11].…”

Section: Introductionmentioning

confidence: 99%

Phenanthrene Purification: Comparison of Zone Melting and Co‐Crystallization

Burel¹,

Vlieg²,

Mignot³

et al. 2016

Chem Eng & Technol

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The purification of phenanthrene is a prerequisite before studying its solid-solid phase transition at the molecular scale. Two purification methods, namely, zone melting and co-crystallization with 3,5-dinitrobenzoic acid, were separately studied and compared, in view of reaching ultrapurity which means a purity of > 99.9 mol %. An explanation of the relationship between the efficiency of both techniques by using phase diagrams has been attempted. A novel strategy is proposed to optimize phenanthrene ultrapurification based on a combination of the two methods.

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“…These results are compared to conventional refinements using the independent atom model (IAM). Using the known and new structure of sodium acetate, we speculate why supersaturation [9] might occur.…”

Section: Introductionmentioning

confidence: 99%

New Polymorphs of the Phase-Change Material Sodium Acetate

et al. 2018

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Abstract:Two new polymorphs of the phase-change material sodium acetate were characterized by single-crystal X-ray diffraction. A tetragonal form was found first. It converted to a orthorhombic form after measurement of a single crystal of the tetragonal form at 100 K and subsequent warming to ambient temperature. Hirshfeld surface fingerprint plots show the different packing environments of the two new compared to the two known orthorhombic polymorphs Forms I and II. The accuracy and precision of the structures were improved compared to conventional independent atom model refinement through the use of aspherical scattering factors of the invariom database. We think that the layered nature of all sodium acetate forms, and the thereby limited ("quantized") availability of vibrational modes, is related to the phenomenon of supersaturation, which is connected to its phase-change properties.

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Crystallization of molecular systems from solution: phase diagrams, supersaturation and other basic concepts

Cited by 117 publications

References 30 publications

How to Use Pasteur’s Tweezers

How to Use Pasteur’s Tweezers

Phenanthrene Purification: Comparison of Zone Melting and Co‐Crystallization

New Polymorphs of the Phase-Change Material Sodium Acetate

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