Determining if Reaction Selectivity Can Be Controlled by the H/D Isotope Effect in CH···O Interactions.

The H/D isotope effect in the CH···O interactions of several systems is systematically analyzed to determine whether it exerts control over reaction selectivity. Our theoretical study demonstrates that deuterium substitution has a negligible effect on CH···O interactions; thus, reaction selectivity likely cannot be controlled by the H/D isotope effect in these CH···O interactions.