On Librational and Rotational Motions of Aromatic Rings in Layered Sn(IV) and Zr(IV) Phosphonate Materials: A Variable-Temperature 13C, 31P Solid-State NMR Study. Academic Article uri icon


  • According to the solid-state 13C, 31P NMR study and 13C chemical shift anisotropy (CSA) measurements, aromatic rings in the layered metal(IV) phosphonate materials behave as low-energy rotors at rotation activation energy, Eact, of 1.4-3.0 kcal/mol. The rotational mechanism consists of 180° flips and librations around C(1)-C(4) axis. The amplitude of the librations, added to the flips, grows with temperature, shifting the reorientations toward rotational diffusion at high temperatures.

published proceedings

  • J Phys Chem Lett

altmetric score

  • 0.5

author list (cited authors)

  • Bakhmutov, V. I., Elliott, D. W., Contreras-Ramirez, A., Clearfield, A., & Zhou, H.

citation count

  • 2

complete list of authors

  • Bakhmutov, Vladimir I||Elliott, Douglas W||Contreras-Ramirez, Aida||Clearfield, Abraham||Zhou, Hong-Cai

publication date

  • June 2020