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.
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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.
author list (cited authors)
Bakhmutov, V. I., Elliott, D. W., Contreras-Ramirez, A., Clearfield, A., & Zhou, H.
complete list of authors
Bakhmutov, Vladimir I||Elliott, Douglas W||Contreras-Ramirez, Aida||Clearfield, Abraham||Zhou, Hong-Cai