Carbon-13 chemical shift tensors for acylium ions: a combined solid state NMR and ab initio molecular orbital study

摘要

We report the principal components of the ~13C chemical shift tensors for seven acylium ions, determined by both slow speed magic angle spinning (MAS) nuclear magnetic resonance (NMR) and theoretical methosds. Experimentally, the acylium ions were prepared either by direct reaction of the parent acyl halides with metal halide powders, including frozen antimony pentafluoride, or by the reaction of alkyl halides with carbon monoxide on aluminum chloride (AlCl_3).