Temperature-dependent guest reorientation: a reversible order–disorder transformation in a single crystal

Literature Information

Publication Date 2013-10-10
DOI 10.1039/C3CE41572D
Impact Factor 3.545
Authors

Matteo Lusi, Leonard J. Barbour


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Abstract

A Werner clathrate undergoes a reversible, temperature-induced, single-crystal to single-crystal polymorphic transformation. Such transformation involves a realignment of the Werner complex, which generates a twofold axis and increases the space group symmetry from P21/n to C2/c. An increase of the crystal's dynamic disorder is also associated with the phase transition. Crystallographic and thermal behaviours are discussed.

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CrystEngComm

CrystEngComm
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CrystEngComm is the forum for the design and understanding of crystalline materials. We welcome studies on the investigation of molecular behaviour within crystals, control of nucleation and crystal growth, engineering of crystal structures, and construction of crystalline materials with tuneable properties and functions. We publish hypothesis-driven research into… how crystal design affects thermodynamics, phase transitional behaviours, polymorphism, morphology control, solid state reactivity (crystal-crystal solution-crystal, and gas-crystal reactions), optoelectronics, ferroelectric materials, non-linear optics, molecular and bulk magnetism, conductivity and quantum computing, catalysis, absorption and desorption, and mechanical properties. Using Techniques and methods including… Single crystal and powder X-ray, electron, and neutron diffraction, solid-state spectroscopy, spectrometry, and microscopy, modelling and data mining, and empirical, semi-empirical and ab-initio theoretical evaluations. On crystalline and solid-state materials. We particularly welcome work on MOFs, coordination polymers, nanocrystals, host-guest and multi-component molecular materials. We also accept work on peptides and liquid crystals. All papers should involve the use or development of a design or optimisation strategy. Routine structural reports or crystal morphology descriptions, even when combined with an analysis of properties or potential applications, are generally considered to be outside the scope of the journal and are unlikely to be accepted.

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