Structured emission of tetrahedral complexes due to Jahn-Teller and pseudo-Jahn-Teller effects

Abstract
Tetrahedral complexes with an excited state consisting of two closely lying triplet states are considered. The full interaction Hamiltonian, including ligand field, Jahn-Teller, pseudo-Jahn-Teller, and spin-orbit interactions is constructed. The emission-band shape is numerically calculated within the semiclassical approach using Monte Carlo integration. The results of this numerical analysis are applied to the PbWO4 system. Comparison with experimentally obtained spectra shows that this theory explains the observed triple-peak structure.