Unprecedented Sensitization of Visible and Near-Infrared Lanthanide Luminescence by Using a Tetrathiafulvalene-Based Chromophore
Résumé
Based on d. functional calcns. on model systems, the electronic structure of medium and large ligated palladium clusters is discussed herein. Among all the studied clusters, the electronic structure of Pd30(CO)26(PR3)10, Pd69(CO)36(PR3)18 and Pd145(CO)56(PR3)30 clusters is analyzed in details. It is shown that the evolution of the band gap can be correlated to the av. Pd-Pd bond length rather than n, the nuclearity of the cluster.