Hydrogen-bond nature studied by X-ray and neutron structure analyses of MeHPLN at room temperature

R. Kiyanagi, A. Kojima, T. Hayashide, Hiroyuki Kimura, Masashi Watanabe, Y. Noda, T. Mochida, T. Sugawara, S. Kumazawa

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The hydrogen-bonded material, 5-methyl-9-hydroxyphenalenon (MeHPLN), was studied by X-ray and neutron diffraction experiments at room temperature in order to understand the hydrogen-bond nature and the relation between the hydrogen-bonds and phase transitions. We found that there are obvious discrepancies between the positions of the hydrogen atoms obtained by the X-ray data and the ones obtained by the neutron data. This result indicates that the centers of the electron cloud of the hydrogen atoms are off from the nuclear positions. The discrepancy is markedly seen in the hydrogen atoms participating in the hydrogen-bonds. That is, there are local electronic dipolemoments in the hydrogen-bond region.

Original languageEnglish
Pages (from-to)2816-2821
Number of pages6
Journaljournal of the physical society of japan
Volume72
Issue number11
DOIs
Publication statusPublished - 2003 Nov 1

Keywords

  • Isolated hydrogen-bonded system
  • Neutron diffraction
  • Structure analysis
  • X-ray diffraction

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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