Electric-field induced nonlinear optical materials based on a bipolar copper (I) complex embedded in polymer matrices

Czerwieniec, Rafał; El‐Naggar, A. M.; Albassam, A.A.; Kityk, I.V.; Graf, Marion; Yersin, Hartmut

doi:10.1007/s10854-015-3506-1

Cited by 7 publications

(2 citation statements)

References 21 publications

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“…Photophysical data Refs. [31,38] [43,96,147] Cu(dppb)(pz 2 Bph 2 ) 2 [33] [Cu(m-Cl)(PNMe 2 )] 2 3 [33] [Cu(m-Br)(PNMe 2 )] 2 4 [33] [Cu(m-I)(PNMe 2 )] 2 5 [33] [Cu(m-I)(PNpy)] 2 7 [9,95,148,149] Cu(pop)(pz 2 Bph 2 ) 8 [109] Ta ble 7…”

Section: Compoundmentioning

confidence: 99%

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu^Iand Ag^IComplexes

et al. 2017

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The development of organic light emitting diodes (OLEDs) and the use of emitting molecules have strongly stimulated scientific research of emitting compounds. In particular, for OLEDs it is required to harvest all singlet and triplet excitons that are generated in the emission layer. This can be achieved using the so-called triplet harvesting mechanism. However, the materials to be applied are based on high-cost rare metals and therefore, it has been proposed already more than one decade ago by our group to use the effect of thermally activated delayed fluorescence (TADF) to harvest all generated excitons in the lowest excited singlet state S . In this situation, the resulting emission is an S →S fluorescence, though a delayed one. Hence, this mechanism represents the singlet harvesting mechanism. Using this effect, high-cost and strong SOC-carrying rare metals are not required. This mechanism can very effectively be realized by use of Cu or Ag complexes and even by purely organic molecules. In this investigation, we focus on photoluminescence properties and on crucial requirements for designing Cu and Ag materials that exhibit short TADF decay times at high emission quantum yields. The decay times should be as short as possible to minimize non-radiative quenching and, in particular, chemical reactions that frequently occur in the excited state. Thus, a short TADF decay time can strongly increase the material's long-term stability. Here, we study crucial parameters and analyze their impact on the TADF decay time. For example, the energy separation ΔE(S -T ) between the lowest excited singlet state S and the triplet state T should be small. Accordingly, we present detailed photophysical properties of two case-study materials designed to exhibit a large ΔE(S -T ) value of 1000 cm (120 meV) and, for comparison, a small one of 370 cm (46 meV). From these studies-extended by investigations of many other Cu TADF compounds-we can conclude that just small ΔE(S -T ) is not a sufficient requirement for short TADF decay times. High allowedness of the transition from the emitting S state to the electronic ground state S , expressed by the radiative rate k (S →S ) or the oscillator strength f(S →S ), is also very important. However, mostly small ΔE(S -T ) is related to small k (S →S ). This relation results from an experimental investigation of a large number of Cu complexes and basic quantum mechanical considerations. As a consequence, a reduction of τ(TADF) to below a few μs might be problematic. However, new materials can be designed for which this disadvantage is not prevailing. A new TADF compound, Ag(dbp)(P -nCB) (with dbp=2,9-di-n-butyl-1,10-phenanthroline and P -nCB=bis-(diphenylphosphine)-nido-carborane) seems to represent such an example. Accordingly, this material shows TADF record properties, such as short TADF decay time at high emission quantum yield. These properties are based (i) on geometry optimizations of the Ag complex for a fast radiative S →S rate and (ii) on restricting the extent of geometry reorganiza...

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Section: Compoundmentioning

confidence: 99%

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu^Iand Ag^IComplexes

et al. 2017

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“…According to experimental results in the literature, copper exhibits a significant NLO response in variousforms [47]. In another work [48] an organometallic copper complex embedded in polymer matrices showed a substantial NLO response. From a synthetic perspective, copper is an abundant and economical metal, so its effective doping will be a viable choice in constructing NLO materials.…”

Section: Introductionmentioning

confidence: 82%

Exploring the second-order polarizability of copper doped silicon carbide nanocluster: toward a new NLO material

et al. 2023

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Nonlinear optical materials are widely used in optical and optoelectronic devices. The geometric, electronic, and NLO properties of copper-doped 2D silicon carbide nanoclusters (Cu@h-SiC) are investigated. The HOMO-LUMO gap (Eg) of the h-SiC nanocluster is significantly decreased by copper atom doping. All the isomers (A to G) showed a marked drop in Eg values. It is noticed that the Eg value decreased up to 46% of the original value. The partial as well as total density of state graphs for all seven structures indicate the emergence of new HOMOs between the frontier molecular orbitals of h-SiC. The isomer A exhibits a significant increase in both polarizability (α=669 au) and hyperpolarizability (βo=9.395×10-29 esu) values as compared to pure h-SiC. Global reactivity descriptors (IP, EA, and S) and low excitation energies endorse the enhanced NLO response of Cu@h-SiC. The EDDM (Electron density difference map) analysis is performed to gain insight into the electronic densities differences at the ground and excited levels. QTAIM analysis is used to investigate the type and nature of interaction between the Cu-atom and the h-SiC. TD-DFT calculations predict the absorption spectra in the visible and near-IR regions. This study may help in the fabrication of h-SiC-based materials with optimised NLO response.

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TADF Material Design: Photophysical Background and Case Studies Focusing on Cu(I) and Ag(I) Complexes^a

Yersin

Czerwieniec

Shafikov

et al. 2018

Highly Efficient OLEDs

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Electric-field induced nonlinear optical materials based on a bipolar copper (I) complex embedded in polymer matrices

Cited by 7 publications

References 21 publications

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu^Iand Ag^IComplexes

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu^Iand Ag^IComplexes

Exploring the second-order polarizability of copper doped silicon carbide nanocluster: toward a new NLO material

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu(I) and Ag(I) Complexes^a

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Electric-field induced nonlinear optical materials based on a bipolar copper (I) complex embedded in polymer matrices

Cited by 7 publications

References 21 publications

TADF Material Design: Photophysical Background and Case Studies Focusing on CuIand AgIComplexes

TADF Material Design: Photophysical Background and Case Studies Focusing on CuIand AgIComplexes

Exploring the second-order polarizability of copper doped silicon carbide nanocluster: toward a new NLO material

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu(I) and Ag(I) Complexesa

Contact Info

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TADF Material Design: Photophysical Background and Case Studies Focusing on Cu^Iand Ag^IComplexes

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu^Iand Ag^IComplexes

TADF Material Design: Photophysical Background and Case Studies Focusing on Cu(I) and Ag(I) Complexes^a