Special Issue "Polymorphism of Mechanochemically Synthesized Cocrystals"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".

Deadline for manuscript submissions: 31 January 2018

Special Issue Editor

Guest Editor
Dr. Franziska Emmerling

Federal Institute for Materials Research and Testing Berlin, Berlin, Germany
Website | E-Mail
Interests: mechanochemistry; polymorphism; cocrystals; metal–organic frameworks; nanoparticles; crystallography; in situ methods

Special Issue Information

Dear Colleagues,

During the last few years, mechanochemistry has emerged as a powerful method to form new structures by application of mechanical energy. In the simplest approach, a mortar and pestle are used to introduce solid transformations. Using automated milling devices, mechanochemical syntheses have become faster and more reliable. Mechanochemistry can produce solid forms, which are different to solution methods, without the need for miscible reactants. Therefore, the mechanochemical approach is now established as a green and efficient route for the formation of cocrystals and their polymorphs. Cocrystals are defined as multicomponent crystalline materials consisting of neutral molecules stabilized by non-covalent interactions, such as hydrogen bonds, π-π stacking, or halogen bonds. The cocrystallization of a compound with a suitable coformer can improve its physiochemical properties, such as solubility or stability, making it attractive for the development of new materials in pharmacy, agriculture, and explosives. The phenomenon of polymorphism is of great interest in academic and industrial research. Although polymorphs usually only differ slightly in energy, properties can change dramatically. Therefore, the control of polymorphism is of huge importance. The addition of liquids and polymers during grinding can influence the outcome of mechanochemical reactions. Mechanistic information is still sparse, making further research in the mechanochemical preparation of polymorphic cocrystals necessary.

Contributions in this Special issue cover, but are not limited to:

  • Mechanochemical syntheses and characterization of cocrystals
  • Transformation and stability of polymorphs
  • Structure/property relationships of cocrystals
  • Control of polymorphism during grinding: the role of solvent/additives in mechanochemical cocrystal formation
  • Prediction and mechanism of cocrystal formations

Dr. Franziska Emmerling
Guest Editor

Manuscript Submission Information

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Keywords

  • Mechanochemistry
  • Polymorphism
  • Cocrystal

Published Papers (2 papers)

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Research

Open AccessArticle Chalcogenide Quaternary Cu2FeSnS4 Nanocrystals for Solar Cells: Explosive Character of Mechanochemical Synthesis and Environmental Challenge
Crystals 2017, 7(12), 367; doi:10.3390/cryst7120367
Received: 30 October 2017 / Revised: 25 November 2017 / Accepted: 5 December 2017 / Published: 9 December 2017
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Abstract
In this study we demonstrate the synthesis of quaternary semiconductor nanocrystals of stannite Cu2FeSnS4/rhodostannite Cu2FeSn3S8 (CFTS) via mechanochemical route using Cu, Fe, Sn and S elements as precursors in one-pot experiments. Methods of X-ray
[...] Read more.
In this study we demonstrate the synthesis of quaternary semiconductor nanocrystals of stannite Cu2FeSnS4/rhodostannite Cu2FeSn3S8 (CFTS) via mechanochemical route using Cu, Fe, Sn and S elements as precursors in one-pot experiments. Methods of X-ray diffraction (XRD), nitrogen adsorption, high-resolution transmission electron microscopy (HRTEM), scanning transmission electron microscopy (STEM), energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) were applied to characterize properties of the unique nanostructures. Mechanochemical route of synthesis induced new phenomena like explosive character of reaction, where three stages could be identified and the formation of nanostructures 5–10 nm in size. By using XPS method, Cu(I), Fe(II), Sn(IV) and S(-II) species were identified on the surface of CFTS. The value of optical band gap 1.27 eV is optimal for semiconductors applicable as absorbers in solar cells. The significant photocatalytic activity of the CFTS nanocrystals was also evidenced. The obtained results confirm the excellent properties of the quaternary semiconductor nanocrystals synthesized from earth-abundant elements. Full article
(This article belongs to the Special Issue Polymorphism of Mechanochemically Synthesized Cocrystals)
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Open AccessArticle The Influence of Liquid on the Outcome of Halogen-Bonded Metal–Organic Materials Synthesis by Liquid Assisted Grinding
Crystals 2017, 7(12), 363; doi:10.3390/cryst7120363
Received: 15 November 2017 / Revised: 27 November 2017 / Accepted: 4 December 2017 / Published: 7 December 2017
PDF Full-text (2327 KB) | HTML Full-text | XML Full-text | Supplementary Files
Abstract
In this work, we describe novel multi-component halogen bonded solids of Co(ii) complexes and 1,4-diiodotetrafluorobenzene, 14tfib. We present the important influence of liquid on the outcome of liquid assisted grinding of dichlorobis(1,10-phenantroline)cobalt(ii), CoCl2(phen)2
[...] Read more.
In this work, we describe novel multi-component halogen bonded solids of Co(ii) complexes and 1,4-diiodotetrafluorobenzene, 14tfib. We present the important influence of liquid on the outcome of liquid assisted grinding of dichlorobis(1,10-phenantroline)cobalt(ii), CoCl2(phen)2 and 14tfib. Grinding of solid reactants with a small amount of water gives the cocrystal product [CoCl2(phen)2](14tfib) (1) while grinding with a small amount of methanol gives an ionic structure, the four-component solid [CoCl(MeOH)(phen)2]Cl(14tfib)(MeOH) (2). Both solid products were also obtained by crystallization from the solution. Single crystal X-ray diffraction reveals that the dominant supramolecular interaction in 1 is the I···Cl halogen bond between 14tfib and CoCl2(phen)2 building blocks. On the other hand, the dominant supramolecular interactions in 2 are I···Cl charge-assisted halogen bonds between the halogen bond donor and the chloride anion as well as hydrogen bonds between the chloride anion and OH groups of coordinated and solvated methanol molecules. Full article
(This article belongs to the Special Issue Polymorphism of Mechanochemically Synthesized Cocrystals)
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