The curious case of proton migration under pressure in the malonic acid and 4,4′-bipyridine cocrystal
Ewa Patyk-Kaźmierczak,
Fernando Izquierdo-Ruiz,
Alvaro Lobato
et al.
Abstract:In the search for new active pharmaceutical ingredients, the precise control of the chemistry of cocrystals becomes essential. One crucial step within this chemistry is proton migration between cocrystal coformers to form a salt, usually anticipated by the empirical ΔpK
a rule. Due to the effective role it plays in modifying intermolecular distances and interactions, pressure adds a new dimension to the ΔpK
a rule. Still, this variable has been scarcely applied to induce pro… Show more
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