Hindered rotation of methane molecules in the one-dimensional nanochannel of a porous coordination polymer

Yoshiki Kubota, Masaki Takata, Ryo Kitaura, Ryotaro Matsuda, Tatsuo C. Kobayashi, Susumu Kitagawa

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


The crystal structure of a microporous coordination polymer with adsorbed methane gas was determined by in situ synchrotron powder diffraction of the gas adsorption and the MEM (maximum entropy method)/Rietveld method. Methane molecules were found to be adsorbed forming a one-dimensional array in the nanochannels of the polymer. The MEM charge density distribution of the adsorbed methane molecules indicated some protrusions which were not observed in that of a spherical atom of adsorbed argon. This was interpreted as a mixed distribution of two uniaxially rotating molecules with different pivotal axes. The methane molecules displayed hindered rotation depending on the shape of the nanopore surface. This result indicates the capability to control the molecular arrangement and orientation by the adsorption of gas molecules on the precisely designed nanopores of coordination polymers.

Original languageEnglish
Pages (from-to)69-76
Number of pages8
JournalJournal of Nanoscience and Nanotechnology
Issue number1
Publication statusPublished - 2009 Jan
Externally publishedYes


  • Gas adsorption
  • MEM/Rietveld method
  • Molecular orientation
  • Porous coordination polymer
  • Synchrotron powder diffraction

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Biomedical Engineering
  • Materials Science(all)
  • Condensed Matter Physics


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