Test of the Orbital-Based LI3 Index as a Predictor of the Height of the ${}^3$MLCT $\to$ ${}^3$MC Transition-State Barrier for Gas-Phase [Ru(N${}^{\wedge }$N)${}_3$]${}^{2+}$ Polypyridine Complexes

Denis Magero, Ala Aldin M. H. M. Darghouth, Mark E. Casida

Luminescence lifetimes of Ruthenium (II) polypyridine compounds is thought to be controlled by the barrier to conversion of triplet metal-ligand charge transfer (${}^3$MLCT) state…