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Article

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

1
National Institute of Materials Physics, Atomistilor 405A, 077125 Magurele, Romania
2
Slovenian NMR Center, National Institute of Chemistry, Hajdrihova 19, Ljubljana SI-1000, Slovenia
*
Authors to whom correspondence should be addressed.
Materials 2020, 13(7), 1617; https://doi.org/10.3390/ma13071617
Received: 12 February 2020 / Revised: 30 March 2020 / Accepted: 31 March 2020 / Published: 1 April 2020
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. View Full-Text
Keywords: carbon analysis; organometallic compound; 2D NMR; EXAFS; molecular structure carbon analysis; organometallic compound; 2D NMR; EXAFS; molecular structure
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MDPI and ACS Style

Ciobotaru, I.C.; Crisan, D.N.; Šket, P.; Ciobotaru, C.C.; Polosan, S. Detailed Molecular and Structural Analysis of Dual Emitter IrQ(ppy)2 Complex. Materials 2020, 13, 1617. https://doi.org/10.3390/ma13071617

AMA Style

Ciobotaru IC, Crisan DN, Šket P, Ciobotaru CC, Polosan S. Detailed Molecular and Structural Analysis of Dual Emitter IrQ(ppy)2 Complex. Materials. 2020; 13(7):1617. https://doi.org/10.3390/ma13071617

Chicago/Turabian Style

Ciobotaru, Iulia C., Daniel N. Crisan, Primoz Šket, Constantin C. Ciobotaru, and Silviu Polosan. 2020. "Detailed Molecular and Structural Analysis of Dual Emitter IrQ(ppy)2 Complex" Materials 13, no. 7: 1617. https://doi.org/10.3390/ma13071617

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