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Issue 14, 2014
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Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)

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Abstract

1-(Chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate), C7H15ClN22+·2ClO4, was synthesized and separated as colorless block crystals. Differential scanning calorimetry (DSC) measurements detected that this compound underwent a reversible phase transition at ca. 143.9 K with a hysteresis width of 12.7 K, which was also confirmed by dielectric measurements. Single crystal X-ray diffraction data suggested that the compound may undergo phase transition (170 K) from a room temperature phase with a space group of Pbca (a = 13.585(4) Å, b = 12.926(4) Å, c = 16.012(5) Å, V = 2811.8(16) Å3 and Z = 8) to a low temperature one with a space group of P21/c (a = 12.659(4) Å, b = 16.121(5) Å, c = 13.197(4) Å, β = 91.231(4)°, V = 2692.5(14) Å3 and Z = 8.), and symmetry breaking occurred with an Aizu notation of mmmF2/m. The order–disorder transition of ClO4 anions and the ordering of twisting motions of the dabco ring may drive the phase transition.

Graphical abstract: Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)

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Publication details

The article was received on 29 Oct 2013, accepted on 22 Jan 2014 and first published on 24 Jan 2014


Article type: Paper
DOI: 10.1039/C3CE42190B
Citation: CrystEngComm, 2014,16, 2944-2949
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    Temperature-induced reversible structural phase transition of 1-(chloromethyl)-1,4-diazoniabicyclo[2.2.2]octane bis(perchlorate)

    L. Chen, D. Huang, J. Ge and F. Wang, CrystEngComm, 2014, 16, 2944
    DOI: 10.1039/C3CE42190B

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