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Establishing Through-Bond Connectivity in Solids with NMR: Structure and Dynamics in HC60 +
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https://doi.org/10.1021/ja0266619Abstract
We present a novel nuclear magnetic resonance experiment for establishing through-bond connectivity in solids using scalar coupling-driven correlation. This method, a variant of the popular double-quantum-filtered correlation spectroscopy experiment in liquids, is robust under fast magic-angle-spinning conditions and in the presence of dynamics. In HC(60)(+), where anisotropic molecular motion renders through-space dipolar-driven correlation ineffective, this through-bond correlation method answers a significant structural question by accurately identifying the direct bond between the protonated sp(3) hybridized carbon site and the sp(2) hybridized cationic site.
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