Investigation of methyl group rotation barriers in halogen bonded cocrystals via 2H NMR using T1 time constants

Shubha Gunaga – @sgshubha_

We have studied the dynamics of methyl group rotations experimentally as well theoretically in brominated and chlorinated cocrystals of 2,3,5,6-tetramethylpyrazine. Five novel cocrystals were synthesized and characterized via single crystal and X-ray powder diffraction. 2H NMR spin-echo experiments were carried out over the temperature range of 140 K to 320 K.