Journal of the American Chemical Society, Vol.129, No.41, 12406-12406, 2007
H-2 solid-state NMR of mobile protons: It is not always the simple way
A combined study of H-2 line-shape analysis and ab initio molecular dynamics simulations was carried out on poly[vinyl phosphonic acid] (a water-free proton conducting material). We can elucidate the geometry and even time scale of the complex motional process, where dynamical proton motion occurs via the rearrangement of H-bonding networks, involving both intra- and interchain transfers.