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Issue 20, 2011
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Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2] crystal

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Abstract

A flexible hydrogen-bonding supramolecular cation of 4-cyanomethylanilinium (CMAni+)-[18]crown-6 was introduced into the [Ni(dmit)2] salt (dmit2− = 2-thioxo-1,3-dithiole-4,5-dithiolate) as a counter cation to form (CMAni+)([18]crown-6)[Ni(dmit)2]. The rotation of the cyanomethyl group of the CMAni+ cation is associated with the structural phase transition at 153 K, at which temperature the space group was changed from Pbcn (high-temperature phase) to P212121 (low-temperature phase). The temperature dependent dielectric constants and potential energy calculations were consistent with the rotation of the cyanomethyl group of CMAni+.

Graphical abstract: Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal

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Publication details

The article was received on 18 May 2011, accepted on 20 Jul 2011 and first published on 17 Aug 2011


Article type: Paper
DOI: 10.1039/C1CE05581J
Citation: CrystEngComm, 2011,13, 6185-6191
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    Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2] crystal

    Q. Ye, T. Akutagawa, H. Ye, T. Hang, J. Ge, R. Xiong, S. Noro and T. Nakamura, CrystEngComm, 2011, 13, 6185
    DOI: 10.1039/C1CE05581J

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