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Polymorphism and phase transformations in cobaltacarborane molecular crystals

Planas, J.G., Vinas, C., Teixidor, F., Light, M.E. and Hursthouse, M.B. (2007) Polymorphism and phase transformations in cobaltacarborane molecular crystals CrystEngComm, 9, (10), pp. 888-894. (doi:10.1039/b704833e).

Record type: Article


The full study of polymorphism in the cobaltacarborane closo-[3-Co(5-C5H5)-1,2-C2B9H11] ( 1) compound by a combination of X-ray diffraction, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), IR and hot-stage microscopy (HSM) is reported for the first time. The previously reported Form I (orthorhombic Form, noncentrosymmetric space group P21212) crystallizes as dark yellow to orange flat prisms from polar dichloromethane. A new centrosymmetric modification (Form II) that crystallizes from a mixture of polar and non-polar solvents has been found. Form II crystallizes as pleochroic orange blocks in the monoclinic crystal system and space group P21/c. Phase transformation between both polymorphs has been observed by DSC, IR and HSM, showing that the centrosymmetric Form II (kinetic) converts irreversibly to the noncentrosymmetric Form I (thermodynamic).

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Published date: 2007
Keywords: carboranes, unconventional hydrogen-bonds, chemistry, clusters, metallacarborane, spectroscopy, solid-state


Local EPrints ID: 54364
ISSN: 1466-8033
PURE UUID: 584518df-9f0c-4367-9b5a-37ec75505279
ORCID for M.E. Light: ORCID iD

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Date deposited: 31 Jul 2008
Last modified: 17 Jul 2017 14:35

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Author: J.G. Planas
Author: C. Vinas
Author: F. Teixidor
Author: M.E. Light ORCID iD
Author: M.B. Hursthouse

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