Quantum chemistry-based interpretations on the lowest triplet state of luminescent lanthanides complexes. Part 1. Relation between the triplet state energy of …
In this paper, we evaluate the potential use of theoretical calculations to obtain an energy scale of the lowest ligand-centred triplet excited state in luminescent terbium (III) complexes. In these complexes, non-radiative deactivation of the terbium emitting state via a back- energy transfer process (T1← Tb (5D4)) is a common quenching process. Consequently the prediction of the energy gap between these two excited states should be useful for ...