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

Qiong Ye, Tomoyuki Akutagawa, Heng Yun Ye, Tian Hang, Jia Zhen Ge, Ren Gen Xiong, Shin Ichiro Noro, Takayoshi Nakamura

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    18 Citations (Scopus)

    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+.

    Original languageEnglish
    Pages (from-to)6185-6191
    Number of pages7
    JournalCrystEngComm
    Volume13
    Issue number20
    DOIs
    Publication statusPublished - 2011 Oct 21

    ASJC Scopus subject areas

    • Chemistry(all)
    • Materials Science(all)
    • Condensed Matter Physics

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