Consistent characterization of the electronic ground state of Iron (II) Phthalocyanine from valence and core-shell electron spectroscopy

We studied the Iron (II) Phthalocyanine molecule in the gas-phase. It is a complex transition organometallic compound, for which, the characterization of its electronic ground state is still debated more...

Detailed Molecular and Structural Analysis of Dual Emitter IrQ(ppy)2 Complex

The molecular structure of the 8-hydroxyquinoline–bis (2-phenylpyridyl) iridium (IrQ(ppy)2) dual emitter organometallic compound is determined based on detailed 1D and 2D nuclear magnetic resonance (NMR), to identify metal-ligands coordination, isomerization and chemical yield of the desired compound. Meanwhile, the extended X-ray absorption fine structure (EXAFS) was used to determine the interatomic distances around the iridium ion. From the NMR results, this compound IrQ(ppy)2 exhibits a trans isomerization with a distribution of coordinated N-atoms in a similar way to facial Ir(ppy)3. The EXAFS measurements confirm the structural model of the IrQ(ppy)2 compound where the oxygen atoms from the quinoline ligands induce the splitting of the next-nearest neighboring C in the second shell of the Ir3+ ions. The high-performance liquid chromatography (HPLC), as a part of the detailed molecular analysis, confirms the purity of the desired IrQ(ppy)2 organometallic compound as being more than 95%, together with the progress of the chemical reactions towards the final compound. The theoretical model of the IrQ(ppy)2, concerning the expected bond lengths, is compared with the structural model from the EXAFS and XRD measurements.

Organometallic Coatings for Electroluminescence Applications

Organometallic compounds embedded in thin films are widely used for Organic Light-Emitting Diodes (OLED), but their functionalities are strongly correlated with the intrinsic properties of those films. Controlling the concentration of the organometallics in the active layers influences the OLED performances through the aggregation processes. These aggregations could lead to crystallization processes that significantly modify the efficiency of light emission in the case of electroluminescent devices. For functional devices with organometallic-based thin films, some improvements, such as the optimization of the charge injection, are needed to increase the light output. One dual emitter IrQ(ppy)2 organometallic compound was chosen for the aggregation correlations from a multitude of macromolecular organometallics that exist on the market for OLED applications. The choice of additional layers like conductive polymers or small molecules as host for the active layer may significantly influence the performances of the OLED based on the IrQ(ppy)2 organometallic compound. The use of the CBP small molecule layer may lead to an increase in the electroluminescence versus the applied voltage.