The role of solvation in proton transfer reactions: implications for predicting salt/co-crystal formation using the Δp<i>K</i><sub>a</sub> rule
Aurora J. Cruz‐Cabeza, Matteo Lusi, Helen P. Wheatcroft, Andrew D. Bond
Abstract
tip towards salt formation if ancillary hydrogen bonds can exist. Thus, the solvation strength of the lattice plays a key role in the stabilisation of the ions.
Topics & Concepts
SolvationProtonChemistryBase (topology)Salt (chemistry)Outcome (game theory)Transfer (computing)Computational chemistryChemical physicsPhysical chemistrySolventPhysicsComputer scienceOrganic chemistryNuclear physicsMathematicsMathematical analysisParallel computingMathematical economicsCrystallography and molecular interactionsCrystallization and Solubility StudiesChemical and Physical Properties in Aqueous Solutions