Direct Investigation of Covalently Bound Chlorine in Organic Compounds by Solid‐State ³⁵Cl NMR Spectroscopy and Exact Spectral Line‐Shape Simulations

QUEST for chlorine: The chemical shifts and quadrupolar asymmetry parameters obtained from solid-state 35Cl NMR spectroscopy can be related to the nature of the ClC bond (see picture) and to the crystal packing environment of Cl atoms that are covalently bound to carbon atoms. A method for the exact calculation of the NMR spectra, named QUEST, was developed and used for the analysis of seven different compounds.