Data for 35 Cl ‐ 1 H heteronuclear correlation MAS NMR experiments for probing pharmaceutical salts

Specifically, recoupling of the 35Cl - 1H dipolar interaction using rotary resonance recoupling with phase inversion every rotor period or the symmetry based SR421 pulse sequence are compared.

In our implementation of the PT (population-transfer)-D-HMQC experiment, the satellite transitions of the 35Cl nuclei are saturated with an off-resonance WURST sweep, at a low nutation frequency, over the second spinning sideband, whereby the WURST pulse must be of the same duration as the recoupling time. Numerical simulations of the 35Cl - 1H MAS D-HMQC experiment performed separately for each crystallite orientation in a powder provide insight into the orientation dependence of changes in the second-order quadrupolar broadened 35Cl MAS NMR lineshape under the application of dipolar recoupling.