Unexpected structural/motional mode of water intercalated into an α‐crystalline zirconium phosphate deduced by 31 P and 2 H solid‐state MAS NMR spectra Academic Article uri icon


  • In developing the approach to understanding dynamics of intercalates in layered materials, crystalline-layered zirconium phosphate Zr (HPO4 )2 ·0.35D2 O has been prepared and characterized by the 1 H, 31 P, and 2 H solid-state MAS NMR spectra, including 31 P and 2 H T1 measurements. At temperatures >253 K, the intercalated water shows two spectrally-distinguished deuterons unprecedentedly with different DQCC's and 2 H T1 times, one of which is hydrogen bonded. The collected data allowed to identify an unexpected bonding/dynamic mode of water molecules, which experience fast rotation around the hydrogen bond, formed with a zirconium-coordinated oxygen. The low-temperature 2 H MAS NMR experiments have demonstrated the presence of additional hydrogen bond P(H)O˙˙˙ DO, population of which grows on cooling to 195 K corresponding to the doubly hydrogen-bonded immobile water molecule.

published proceedings

  • Magnetic Resonance in Chemistry

altmetric score

  • 1

author list (cited authors)

  • Bakhmutov, V. I., Contreras‐Ramirez, A., Banerjee, S., & Zhou, H.

citation count

  • 2

complete list of authors

  • Bakhmutov, Vladimir I||Contreras‐Ramirez, Aida||Banerjee, Sayan||Zhou, Hong‐Cai

publication date

  • February 2022