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).


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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).

Item Type: Article
Digital Object Identifier (DOI): doi:10.1039/b704833e
ISSNs: 1466-8033 (print)
Keywords: carboranes, unconventional hydrogen-bonds, chemistry, clusters, metallacarborane, spectroscopy, solid-state
ePrint ID: 54364
Date :
Date Event
Date Deposited: 31 Jul 2008
Last Modified: 16 Apr 2017 17:47
Further Information:Google Scholar
URI: http://eprints.soton.ac.uk/id/eprint/54364

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