Structure study of BrHPLN by X-ray and neutron diffraction

R. Kiyanagi, Hiroyuki Kimura, M. Watanabe, Y. Noda, T. Mochida, T. Sugawara

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

An antiferroelectric material with an isolated hydrogen bond, 5-bromo-9-hydroxyphenalenon, was structurally investigated by means of X-ray and neutron-diffraction methods at room temperature, It was found that the electron of the hydrogen atom in the hydrogen-bond region is in a disordered state, having three sites around the center of the hydrogen bond. We also found an obvious discrepancy between the electron density distribution and the nuclear density distribution. That is, the center of the electron cloud of the hydrogen atom is off set from the nuclear position. This result, together with the disordered feature, leads to a local disordered electronic dipole moment in the hydrogen-bond region, which is consistent with the result for 5-methyl-9-hydroxyphenalenon in its room-temperature phase.

Original languageEnglish
Pages (from-to)239-241
Number of pages3
JournalJournal of the Korean Physical Society
Volume46
Issue number1
Publication statusPublished - 2005 Jan 1

Keywords

  • Hydrogen-bonded material
  • Isotope effect
  • Neutron diffraction
  • X-ray diffraction

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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