Theoretical characterization of the structures and reactivity of 7-hydroxyquinoline-(H2O)(sub n) (n = 1-3) complexes

Research was conducted to examine the characterize the minimum-energy structure of the 7-hydroxyquinoline (7HQ)-(H2O)(sub n) (n = 1-3) complexes and the potential energy surfaces governing triple proton transfer in 7HQ-(H2O)2 and quadruple proton transfer in 7HQ-(H2O)3 using different ab initio quantum mechanical methods. The calculated results and experimental data were compared where available.