Adiabatic and nonadiabatic proton transfer rate constants in solution

摘要: Abstract Here we briefly review some nontraditional theoretical views developed in this group on acid–base proton transfer (PT) reactions AH⋯B→A − ⋯HB + solution, whose key ingredients are inclusion of the quantum character motion, identification a solvent coordinate as reaction coordinate, and attention to AB hydrogen bond reacting pair. The rate constant is discussed two separate regimes, which term ‘adiabatic’ ‘nonadiabatic’, with given consequences for free energy relations (FER) kinetic isotope effects (KIEs).