Electronic Description of the Photophysics of Homo- and Heterodinuclear Cyclometallated Iridium and Rhodium Complexes

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• 作者：Sourav Kanti Seth ; Soumik Mandal ; K. Srikanth ; Pradipta Purkayastha and Parna Gupta
• 刊名：European Journal of Inorganic Chemistry
• 出版年：2017
• 出版时间：February 03, 2017
• 年：2017
• 卷：2017
• 期：5
• 页码：873-880
• 全文大小：2903K
• ISSN：1099-0682c

文摘

Photophysical properties of homodinuclear complexes 1 (Ir), 2 (Rh) and heterodinuclear complex 3 (Ir–Rh) have been discussed in solution and in the solid state with the help of quantum chemical calculations by combined DFT-TDDFT methods. Quantum calculations on these three complexes indicate the participation of metal-to-ligand and ligand-to-ligand charge transfers to the lowest energy absorptions, and electron transitions from the cyclometallating ligand to the ancillary ligand. The emission behaviour in the solution and solid state confirm the participation of the triplet state as obtained from quantum chemical calculations. It is also noted that the emission behaviour in the mixed-metal complex is controlled by the iridium metal centre. The ground state electronic interactions between the metal centres studied by electrochemistry are weak interactions, however, energy transfer in the excited state is facile across the bridge.