Aqueous solutions of Europium(III) dipicolinate complexes: Estimates of water coordination based on molecular dynamics simulations and excited state decay rate constants

The rate constants for decay of the Eu3+(D-5(0)) excited state are reported for aqueous Eu(dipicolinate)(n)(3-2n) complexes with n = 0-3 in H2O and D2 O at 295 K. These rate constants are used to estimate water coordination nu mbers, and the results are compared to parallel molecular dynamics calculat ions, showing good general agreement. Electronic energy exchange between sp ecies with differing numbers of coordinated dipicolinate ligands is examine d and is found to be most significant for species of opposite charge.