Infrared photodissociation spectra and solvation structures of Cu+(H2O)n (n = 1-4)

Coordination and solvation structures of Cu+(H2O)n with n = 1-4 are studied by infrared photodissociation spectroscopy and density functional theory calculations. The third H2O is found to hydrogen-bond to one of the first-shell waters in a (2 + 1) form rather than bind directly to Cu+ in a (3 + 0) form.