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

doi:10.1039/c1ce05581j

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

IMRAM - Materials-Measurement Hybrid Research Center

Research output: Contribution to journal › Article › peer-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 (dmit^2- = 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 language	English
Pages (from-to)	6185-6191
Number of pages	7
Journal	CrystEngComm
Volume	13
Issue number	20
DOIs	https://doi.org/10.1039/c1ce05581j
Publication status	Published - 2011 Oct 21

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

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+.",

author = "Qiong Ye and Tomoyuki Akutagawa and Ye, {Heng Yun} and Tian Hang and Ge, {Jia Zhen} and Xiong, {Ren Gen} and Noro, {Shin Ichiro} and Takayoshi Nakamura",

year = "2011",

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doi = "10.1039/c1ce05581j",

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T1 - Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]- crystal

AU - Ye, Qiong

AU - Akutagawa, Tomoyuki

AU - Ye, Heng Yun

AU - Hang, Tian

AU - Ge, Jia Zhen

AU - Xiong, Ren Gen

AU - Noro, Shin Ichiro

AU - Nakamura, Takayoshi

PY - 2011/10/21

Y1 - 2011/10/21

N2 - 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+.

AB - 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+.

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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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