Journal ArticleDOI
Potential and challenges of engineering mechanically flexible molecular crystals
Avantika Hasija,Deepak Chopra +1 more
TLDR
The role of intermolecular interactions in rationalizing mechanical responses in crystals is discussed about, which has undergone tremendous developments that have been utilized to rationalize dynamics in crystals.Abstract:
This highlight gives an overview of recent advances in mechanically flexible molecular crystals, with qualitative and quantitative studies performed on different molecular systems. The diverse methods for the tuning of mechanical properties via crystal engineering have gained immense attention in the field of materials science. Such studies render support in establishing the structure to properties to function parallels. The understanding of intermolecular interactions helps in a systematic placement of different molecular crystals in the elastic-plastic spectrum. This overview helps in emphasizing the potential as well as challenges faced in predicting/designing mechanically compliant crystalline compounds.read more
Citations
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Journal ArticleDOI
Multiple Stimuli-Responsive Flexible Crystal with 2D Elastic Bending, Plastic Twisting and Photoinduced Bending Capabilities
Kui Chen,Jingkang Wang,Yaoguang Feng,Han Liu,Xiunan Zhang,Yunhui Hao,Ting Wang,Xin Huang,Hongxun Hao +8 more
TL;DR: In this article, an anthracene derivative, 9-anthraldehyde, which can respond to mechanical force and light was reported, which possesses two-dimensional (2D) elastic bending, plastic twisting and photoinduced bending properties.
Journal ArticleDOI
Determining the mechanisms of deformation in flexible crystals using micro-focus X-ray diffraction
TL;DR: In this paper, a methodology for determining the mechanisms of deformation in flexible crystals with atomic precision is described, and examples where it has been implemented and used for application in the determination of mechanisms of flexibility, but great care must be taken during both experimental design and data analysis.
Journal ArticleDOI
Dynamic effects in crystalline coordination polymers
TL;DR: In this paper, the authors present the recent scientific developments in the mechanical properties of crystalline coordination polymers (CPs), which have emerged as relatively new crystalline materials in the field of mechanically responsive crystals.
Journal ArticleDOI
Indomethacin Polymorph δ Revealed To Be Two Plastically Bendable Crystal Forms by 3D Electron Diffraction: Correcting a 47‐Year‐Old Misunderstanding**
Benjamin Powell,Tomos Williams +1 more
TL;DR: In this paper , the structure elucidation of indomethacin by 3D electron diffraction was reported and revealed the truth that melt-and solution-crystallized and solution-decompositioned versions of the drug are in fact two polymorphs with different crystal structures.
Journal ArticleDOI
Elastic deformability and luminescence of crystals of polyhalogenated platinum(II)–bipyridine complexes
Masaki Yoshida,Yusuke Makino,Toshiyuki Sasaki,Shunichi Sakamoto,Satoshi Takamizawa,Atsushi Kobayashi,Masako Kato,Masako Kato +7 more
TL;DR: In this article, a series of polyhalogenated platinum(II)-bipyridine complexes showing solvent-of-crystallisation-dependent elastic flexibility were developed, which were the first examples of flexible methanol-solvated crystals showing assembly-induced luminescence arising from the 3MMLCT excited state.
References
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Journal ArticleDOI
CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems
TL;DR: The accurate and efficient CE-B3LYP and CE-HF model energies for intermolecular interactions in molecular crystals are extended to a broad range of crystals by calibration against density functional results for molecule/ion pairs extracted from 171 crystal structures.
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Mechanically Responsive Molecular Crystals
TL;DR: This paper presents a meta-analyses of the chiral stationary phase of the H2O/O2 mixture and shows clear trends in the direction of increasing chiral insensitivity to Naumov’s law.
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Mechanical motion of azobenzene crystals upon photoirradiation.
TL;DR: Photomechanical bending of trans-4-(dimethylamino)azobenzene microcrystals was observed, attributed to a gradient in the extent of UV-induced trans-cis photoisomerization as a function of light penetration, causing the expansion of the irradiated crystal surface along the b axis to result in a bent macrostructure.
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Isostructurality, Polymorphism and Mechanical Properties of Some Hexahalogenated Benzenes: The Nature of Halogen⋅⋅⋅Halogen Interactions
C. Malla Reddy,Michael T. Kirchner,Ravi C. Gundakaram,K. Anantha Padmanabhan,Gautam R. Desiraju +4 more
TL;DR: Both chemical and geometrical models need to be considered for X...X interactions in hexahalogenated benzenes, where nonspecificity of the weak interlayer interactions here is demonstrated by the structure of twinned crystals of these compounds.
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Elastic and bendable caffeine cocrystals: implications for the design of flexible organic materials.
Soumyajit Ghosh,C. Malla Reddy +1 more
TL;DR: A remarkably flexible, elastically bendable cocrystal solvate 1 is reported, formed from caffeine, 4-chloro-3-nitrobenzoic acid, and methanol in a 1:1:< 1 ratio (Figure 1).