Spin-dependent molecular orientation of O2-O2 dimer formed in the nanoporous coordination polymer

Akihiro Hori, Tatsuo C. Kobayashi, Yoshiki Kubota, Akira Matsuo, Koichi Kindo, Jungeun Kim, Kenichi Kato, Masaki Takata, Hirotoshi Sakamoto, Ryotaro Matsuda, Susumu Kitagawa

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)


In a model system of an O2-O2 dimer confined in the nanopores of Cu-1,4-cyclohexanedicarboxylic acid, the molecular orientation associated with the spin state was observed by precise synchrotron radiation structure analysis. The obtained charge density level structures revealed that the molecular orientation varied with increasing temperature, coupling with the spin states of the O2-O2 dimer. The magnetic properties previously reported were consistently explained by the S = 1 dimer model taking into account the molecular arrangements. The obtained gap parameters are different from those of the O2-O2 dimer confined in the nanopores of Cu-2,3-pyrazinedicarboxylate-pyrazine, which is explained by the pore deformation due to the adsorption, depending on the pore size and/or flexibility of the coordination polymer.

Original languageEnglish
Article number084703
Journaljournal of the physical society of japan
Issue number8
Publication statusPublished - 2013 Aug
Externally publishedYes


  • Gas adsorption
  • Intermolecular interaction
  • Magnetic properties
  • Maximum entropy method
  • Metal-organic framework
  • Oxygen
  • Synchrotron powder diffraction

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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