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

Research output: Contribution to journalArticlepeer-review

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

Fingerprint Dive into the research topics of 'Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)<sub>2</sub>]<sup>-</sup> crystal'. Together they form a unique fingerprint.

Cite this