Hartman–Perdok theory: influence of crystal structure and crystalline interface on crystal growth

Woensdregt, C. F.

doi:10.1039/fd9939500097

Cited by 32 publications

(24 citation statements)

References 14 publications

(2 reference statements)

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“…This method has been applied for a variety of organic (e.g. Berkovitch-Yellin, 1985;Berkovitch-Yellin et al, 1985;Boek, Feil, Briels & Bennema, 1991;Docherty, Roberts, Saunders, Black & Davey, 1993) and inorganic (Woensdregt, 1993) …”

Section: Methodsmentioning

confidence: 99%

Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using `tailor-made' auxiliaries

Weissbuch¹,

Popovitz‐Biro²,

Lahav³

et al. 1995

Acta Crystallogr B Struct Sci

332

288

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Tailor-made auxiliaries for the control of nucleation and growth of molecular crystals may be classified into two broad categories: inhibitors and promoters. Tailor-made inhibitors of crystal growth can be used for a variety of purposes, which include morphological engineering and etching, reduction of crystal symmetry, assignment of absolute structure of chiral molecules and polar crystals, elucidation of the effect of solvent on crystal growth, and crystallization of a desired polymorph. As for crystal growth promoters, monolayers of amphiphilic molecules on water have been used to induce the growth of a variety of three-dimensional crystals at the monolayer-solution interface by means of structural match, molecular complementarity or electrostatic interaction. A particular focus is made on the induced nucleation of ice by mono- © 1995 International Union of Crystallography Printed in Great Britain -all fights reserved layers of water-insoluble aliphatic alcohols. The twodimensional crystalline structures of such monolayers have been studied by grazing incidence X-ray diffraction. It has become possible to monitor, by this method, the growth, dissolution and structure of self-aggregated crystalline monolayers, and indeed multilayers, affected by the interaction of solvent molecules in the aqueous subphase with the amphiphilic headgroups, and by the use of tailor-made amphiphilic additives.

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Section: Methodsmentioning

confidence: 99%

Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using `tailor-made' auxiliaries

Weissbuch¹,

Popovitz‐Biro²,

Lahav³

et al. 1995

Acta Crystallogr B Struct Sci

332

288

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“…Further, the simulated PXRD patterns and analytical PXRD patterns of sucrose crystals precipitated from ILs were found to be identical (Figure 8). As observed in Figures 3 and 4, crystals have similar structures, but different crystal morphologies; this is due to differences in the adhesion of additional solvent, impurities, additives, etc., to the crystal surface, or due to the differences in the supersaturation level [37]. This phenomenon occurs when crystals possess F faces with more than two PBCs.…”

Section: Intramolecular Intermolecular Periodic Bonds Chains (Pbcs)mentioning

confidence: 99%

“…They assumed the BF4 − , the anion of ILs, adhered to the surface of the lysozyme crystal, which resulted in the obstruction of the crystal growth [20]. We presumed that the variation of crystal morphology of sucrose crystals precipitated under different ionic liquid conditions has similar aspects with the result reported by Li As observed in Figures 3 and 4, crystals have similar structures, but different crystal morphologies; this is due to differences in the adhesion of additional solvent, impurities, additives, etc., to the crystal surface, or due to the differences in the supersaturation level [37]. This phenomenon occurs when crystals possess F faces with more than two PBCs.…”

Section: Intramolecular Intermolecular Periodic Bonds Chains (Pbcs)mentioning

confidence: 99%

“…Here, it was suggested that the crystal growth rate is fast at K faces, intermediate at S faces, and slow at F faces. Additionally, it was suggested that the control of the crystal morphology without the alternation of its crystal structure is possible [37] and the F faces are involved in the process. Table 2.…”

Section: Intramolecular Intermolecular Periodic Bonds Chains (Pbcs)mentioning

confidence: 99%

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Effect of Ionic Liquids on the Separation of Sucrose Crystals from a Natural Product Using Crystallization Techniques

Kiyonga

Yoon

et al. 2017

Crystals

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Abstract:The present work aims to investigate the applicability of ionic liquids (ILs) for natural ingredient crystallization. First, the medicinal plant, namely Angelica gigas Nakai, was extracted using methanol (MeOH) as a solvent. Afterwards, ILs 1-butyl-3-methylimidazolium tetrafluoroborate (BMImBF 4 ), 1-butyl-3-methylimidazolium hexafluorophosphate (BMImPF 6 ), 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMImTFSI), 1-allyl-3-ethylim idazolium tetrafluoroborate (AEImBF 4 ), and 1,3-diallyl imidazolium tetrafluoroborate (AAImBF 4 ), in three ratios of 1:1, 1:2, and 1:3 (extraction solution/ILs (v/v)) were used as an anti-solvent to induce crystallization. Crystals were obtained within 8 h and were then identified to be pure crystals of sucrose through nuclear magnetic resonance ( 1 H-NMR) analysis. Moreover, the single-crystal X-ray diffraction (SXD) analysis revealed all recovered crystals have an identical crystal structure and the morphology was monitored using a video microscope. With the application of BMImBF 4 and BMImPF 6 , transformation of sucrose crystal morphology from an elongated hexagon shape to an elongated rectangular shape was observed with respect to the respective concentration increase. Here, all crystals precipitated from BMImBF 4 and BMImPF 6 were found to possess identical PXRD patterns. However, when BMImTFSI was employed, small rectangular crystals attached to the larger rectangular-shaped crystals due to secondary nucleation and shapeless amorphous forms were observed according to the alteration in the solution to ILs ratio. Accordingly, the ability of ILs as a relevant anti-solvent for the selective crystallization of a single compound from a natural product was assessed through the study. Furthermore, the applicability of ILs as crystal engineering solvents are expected to modify both the solid state and the crystal morphology of natural compounds, which can influence drug manufacturability, dissolution rate, and bioavailability.

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“…The relation between the internal crystal structure and the crystal morphology can be established by the ^Iartman-Perdok theory [1][2][3]. At the same time the surface topology of the crystalline interface can be derived at atomic scale.…”

Section: Hartman-perdok Theorymentioning

confidence: 99%

Growth Morphology and Atomic Surface Topology by Hartman-Perdok Analysis: Application to ABCO₄and YBa₂Cu₃O_7-x

Woensdregt

1997

Acta Phys. Pol. A

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The lfartman-Perdok theory explains the relation between crystal structure and morphology and provides the atomic surface topology of the crystalmelt interface. Hartman-Perdok theory has been applied to CaYΑIO 4 as model for all other ΑBCO 4 compounds with a K 2 ΝiF4 crystal structure. F forms are {002}, {101}, {103}, {110}, {112}, {200}, {211} and {213}. The strongly anisotropic shape caused by the perovskite-like ΑIO 6 layers | | (001) is very distinct in all theoretical growth forms. The form with formal charges is planar following {001} with (101) and {110) as 1ateral forms. Disordering of the boundary ions results in the disappearance of {110}. At lower effective charge on oxygen ions, qo, the ordered forms are still tabular, while (110) and (112) are the only lateral faces. At still lesser negative qo {112} appears as well. On the disordered models {112} replaces {110}. Crystals show often variations in colour parallel to the {110} interface due to the surface topology of {110}. YBa2Cu3O7-x has, for x = 1, the following F forms: {001}, {101}, {103}, {112} and {114}. The theoretical growth form of this tetragonal phase is tabular following {001} with {101} as lateral form. For x = 0 the growth form shows important {101} and minor {103} and {001}. When the boundary ions on (001) are ordered, the outermost layer of {001} contains half of the Cu+ (x = 1) or Cu3+ and O 2-(x = 0) ions in a c(2 x 2) quadratic lattice which reduces tle {001} growth rate significantly. An (1 x 2) reconstriicted {010} surface can be traced for the orthorhombic polymorph which results into the appearance of {010} oii the ordered growth form. Otherwise the presence of {010) on as-grown crystals must be due to external factors.PACS numbers: 68.35. Bs, 81.10.Aj Hartman-Perdok theoryThe relation between the internal crystal structure and the crystal morphology can be established by the ^Iartman-Perdok theory [1][2][3]. At the same time the surface topology of the crystalline interface can be derived at atomic scale.The crystal morphology is not only determined by internal factors such as crystal structure, twinning, dislocations, etc., but also by external factors such (35)

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Hartman–Perdok theory: influence of crystal structure and crystalline interface on crystal growth

Cited by 32 publications

References 14 publications

Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using `tailor-made' auxiliaries

Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using `tailor-made' auxiliaries

Effect of Ionic Liquids on the Separation of Sucrose Crystals from a Natural Product Using Crystallization Techniques

Growth Morphology and Atomic Surface Topology by Hartman-Perdok Analysis: Application to ABCO₄and YBa₂Cu₃O_7-x

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Hartman–Perdok theory: influence of crystal structure and crystalline interface on crystal growth

Cited by 32 publications

References 14 publications

Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using `tailor-made' auxiliaries

Understanding and control of nucleation, growth, habit, dissolution and structure of two- and three-dimensional crystals using `tailor-made' auxiliaries

Effect of Ionic Liquids on the Separation of Sucrose Crystals from a Natural Product Using Crystallization Techniques

Growth Morphology and Atomic Surface Topology by Hartman-Perdok Analysis: Application to ABCO4and YBa2Cu3O7-x

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Product

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Growth Morphology and Atomic Surface Topology by Hartman-Perdok Analysis: Application to ABCO₄and YBa₂Cu₃O_7-x