Molecular Construction Kit for Tuning Solubility, Stability and Luminescence Properties: Heteroleptic MePyrPHOS-Copper Iodide-Complexes and their Application in Organic Light-Emitting Diodes

Volz, Daniel; Zink, Daniel M.; Bocksrocker, Tobias; Friedrichs, Jana; Nieger, Martin; Baumann, Thomas; Lemmer, Uli; Bräse, Stefan

doi:10.1021/cm4010807

Cited by 157 publications

(173 citation statements)

References 79 publications

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“…The use of DPEPO (E T = 3 eV) almost doubled the performance ( Figure 27) with respect to the device employing 2-(diphenylphosphoryl)spirofluorene (SPP01, E T = 2.9 eV). A series of highly luminescent heteroleptic Cu(I) complexes, as promising candidate OLED emitters, was synthesized by Baumann and Bräse groups [116,117]. The butterfly shaped structure of the Cu(I) halide core is surrounded by one P^N ligand, bridging the two metal centers, and two triphenylphosphine ligands, coordinating via their phosphorus atoms to the copper centers.…”

Section: Oleds Fabricated By Solution Methodsmentioning

confidence: 99%

Cu(I) hybrid inorganic–organic materials with intriguing stimuli responsive and optoelectronic properties

Cariati

Lucenti

Botta

et al. 2016

Coordination Chemistry Reviews

380

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Section: Oleds Fabricated By Solution Methodsmentioning

confidence: 99%

Cu(I) hybrid inorganic–organic materials with intriguing stimuli responsive and optoelectronic properties

Cariati

Lucenti

Botta

et al. 2016

Coordination Chemistry Reviews

380

264

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“…Despite of all the structures of CuI(P^N ligands) described in the literature [1][2][3][4]13,15,37 which show discrete complexes, the structure of [CuI(PN) 0.5 ] N is characterized by a one-dimensional copper iodide polymeric structure (see Fig. 4).…”

Section: View Article Onlinementioning

confidence: 99%

Mechanochemical preparation of copper iodide clusters of interest for luminescent devices

et al. 2014

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The copper iodide complexes are known for their large variety of coordination geometries. Such diversity, while making it difficult to predict the final structure, permits the preparation of a great number of copper iodide complexes based on the same ligand. The target of the research was that of thoroughly exploring the chemistry of CuI and the ligand diphenyl-2-pyridyl phosphine (PN) by varying the stoichiometric ratio and/or the aggregation state. Six different compounds have been identified: [Cu4I4(PN)2], [Cu4I4(PN)2·(CH2Cl2)0.5], [CuI(PN)0.5]∞, [CuI(PN)3] whose structures have been determined during this study, CuI(PN)2 which was characterized by powder diffraction and [Cu2I2(PN)3] which has been already reported. The preparation routes are also different: synthesis in solution yielded [Cu4I4(PN)2·(CH2Cl2)0.5] and [CuI(PN)3] while [CuI(PN)0.5]∞ and CuI(PN)2 were obtained only via solid state reactions. These two latter examples confirmed that mechanochemistry is a valid route to explore the landscape of the possible structures of CuI derivatives. Crystallization by traditional solution procedures failed to give the desired crystal, so structure determination of the new compounds was tackled in two ways: by attempting crystal growth via solvothermal synthesis and by resolving the structure from X-ray powder diffraction data with "direct space" methods. What is more the photophysical properties of the complexes that could be obtained as sufficiently pure powders have also been investigated and are reported herein.

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“…NHetPHOS complexes are highly favorable Cu(I) emitters for OLEDs. [17,56,57] Recently, we demonstrated an OLED device with an internal quantum efficiency close to 100%, which puts these materials on par with state-of-the-art iridium emitters. [5] Figure 7.…”

Section: Case Study (3): Dinuclear Neutral Copper Complexes With Chementioning

confidence: 99%

X-ray absorption spectroscopy: towards more reliable models in material sciences

et al. 2015

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The creation of molecular models and the finding and understanding of structure-property relationships are the most crucial steps when developing new materials. While many great findings and inventions in the history of science and technology strongly relied on a certain degree of randomness, it becomes vital at a certain stage of development to really understand why a certain material has beneficial properties in order to create better and better materials. In in the development of organometallic light-emitting materials, scientists often use structural models based on crystallography, e.g. data obtained by the investigation of single crystal samples. Based on these models, further analyses, and comparison to known substances or so-called "chemical intuition" then leads to the proposition of modified, nextgeneration materials, which may or may not be realized by chemical synthesis.While this approach has been executed with great success in the past, problems arise in cases where the initial model is too simple, inaccurate or even false. In this article, we propose an alternate approach to prevent such problems: the use of X-ray absorption spectroscopy (XAS), a long-known technique, in material science. In several case studies, we highlight problematic examples from the past and show where and how XAS was and could be used to prevent erroneous models. SCOPE AND INTRODUCTIONUsing copper(I) emitters in organic light-emitting diodes (OLEDs) offers the possibility to fabricate highly efficient, light-emitting devices with abundant materials.[1,2] With the most recent breakthroughs, copper emitters emitting via a thermally-activated delayed fluorescence (TADF) mechanism [3,4] are now on par with the most efficient state-of-the-art phosphorescent iridium emitters. [5][6][7] However, it has been becoming increasingly apparent that the chemical differences between copper and iridium compounds require special care regarding the determination of the molecular structure. As a standard procedure, many laboratories rely on single crystal X-ray diffraction to determine the structure of copper or iridium-containing molecules. Based on those structures, further considerations are made, e.g. by calculation of the electronic properties via quantum chemical methods. If the local distribution of the frontier orbitals HOMO and LUMO are known, the modification of the molecular structure and therefore the spectral properties is straight-forward.This approach, which has been successfully followed by many chemists, has one distinct flaw: it relies heavily on the applicability of the structures derived from single crystal X-ray scattering to amorphous films. In this article, we intend to highlight cases where this model failed and intend to offer an alternate approach: X-ray absorption spectroscopy. This method is especially suited for all samples containing metal ions and can be used for various sample forms and -most importantly-suited for amorphous solid state samples and even solutions.

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Molecular Construction Kit for Tuning Solubility, Stability and Luminescence Properties: Heteroleptic MePyrPHOS-Copper Iodide-Complexes and their Application in Organic Light-Emitting Diodes

Cited by 157 publications

References 79 publications

Cu(I) hybrid inorganic–organic materials with intriguing stimuli responsive and optoelectronic properties

Cu(I) hybrid inorganic–organic materials with intriguing stimuli responsive and optoelectronic properties

Mechanochemical preparation of copper iodide clusters of interest for luminescent devices

X-ray absorption spectroscopy: towards more reliable models in material sciences

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