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Proton dynamics in NH+⋯N hydrogen bond in the paraelectric structure of 1,4-diazabicyclo[2.2.2]octane perchlorate

Authors
Journal
Journal of Molecular Structure
0022-2860
Publisher
Elsevier
Publication Date
Volume
552
Identifiers
DOI: 10.1016/s0022-2860(00)00475-0
Keywords
  • Hydrogen Bond
  • Disorder
  • X-Ray Diffraction
  • Ferroelectric
  • Phase Transition

Abstract

Abstract 1,4-diazabicyclo[2.2.2]octane (dabco) perchlorate, [C 6H 13N 2] +·ClO 4 −, and tetrafluoroborate, [C 6H 13N 2] +·BF 4 −, form orthorhombic ferroelectric crystals with NH +⋯N hydrogen bonds linking the cations into linear chains. Above T c the protons become disordered in the hydrogen bonds. The temperature dependence of the unit-cell parameters and the paraelectric structure of the dabcoHClO 4 crystals is reported. The coupling between the structural features and the H +-dynamics is discussed.

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