Near-saturated red emitters: four-coordinate copper(<scp>i</scp>) halide complexes containing 8-(diphenylphosphino)quinoline and 1-(diphenylphosphino)naphthalene ligands

Liu, Li Ping; Li, Qian; Xiang, Song; Zhong, Xin; Liang, Chen; Li, Guang Hua; Hayat, Tasawar; Alharbi, Njud S.; Li, Fa Bao; Zhu, Nianyong; Wong, Wai Yeung; Qin, Hai Mei; Wang, Lei

doi:10.1039/c7dt04528j

Cited by 24 publications

(7 citation statements)

References 41 publications

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“…In the ever-growing field of organic-light-emitting-diode (OLED) emitters, copper(I) complexes have gained increased attention because they can be considered a cheaper alternative to phosphorescent transition-metal complexes with, e.g., iridium or platinum. Besides, several copper(I) complexes undergo thermally activated delayed fluorescence (TADF), − a mechanism where the lowest singlet can be repopulated at higher ambient temperature via reverse intersystem crossing (rISC) from the lowest triplet. This allows for efficient harvesting of all singlet and triplet excitons and short emission lifetimes.…”

Section: Introductionmentioning

confidence: 99%

“…This allows for efficient harvesting of all singlet and triplet excitons and short emission lifetimes. The vast majority of copper(I) complexes investigated in this area are trigonal and tetrahedral complexes, − whereas reports of mononuclear, linear copper complexes that show luminescence were scarce. However, in recent years, a few examples been presented in the literature where one or two of the ligands are either cyclic amino(alkyl) carbenes, diamidocarbenes, or monoamidoaminocarbenes. − …”

Section: Introductionmentioning

confidence: 99%

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Computer-Aided Design of Luminescent Linear N-Heterocyclic Carbene Copper(I) Pyridine Complexes

Föller¹,

Ganter²,

Steffen

et al. 2019

Inorg. Chem.

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Multireference configuration interaction methods including spin–orbit interactions have been employed to investigate the photophysical properties of various linear N-heterocyclic carbene (NHC) copper(I) pyridine complexes with the aim of designing performant thermally activated delayed fluorescence (TADF) emitters for use in organic-light-emitting diodes. Our theoretical results indicate that this structural motif is very favorable for generating excited triplet states with high quantum yield. The first excited singlet (SMLCT) and corresponding triplet state (TMLCT) are characterized by dσ → πPy metal-to-ligand charge-transfer (MLCT) excitations. Efficient intersystem crossing (ISC) and reverse ISC (rISC) between these states is mediated by a near-degenerate second triplet state (TMLCT/LC) with large dπ → πPy contributions. Spin-vibronic coupling is strong and is expected to play a major role in the (r)ISC processes. The calculations reveal, however, that the luminescence is effectively quenched by locally excited triplet states if the NHC ligand carries two diisopropylphenyl (DIPP) substituents. When DIPP is replaced with 1-adamantyl residues, this quenching process is suppressed and TADF in the UV spectral regime is predicted to proceed at a rate of about 1/μs. The introduction of +I substituents on the carbene and –M substituents on the pyridine allows tuning of the emission wavelength from the UV to the blue-green or green spectral region.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Computer-Aided Design of Luminescent Linear N-Heterocyclic Carbene Copper(I) Pyridine Complexes

Föller¹,

Ganter²,

Steffen

et al. 2019

Inorg. Chem.

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“…For example, the photoluminescence quantum yield (ϕ PL ) of [Cu(dbp)(POP)] + is hundreds-fold larger than those of [Cu(N ∧ N) 2 ] + , where POP = bis[2-(diphenylphosphino)phenyl]ether, dbp = 2,9-di- n -butyl-1,10-phenanthroline. In recent years, lots of luminescent heteroleptic Cu(I) complexes supported by chelating diphosphine ligands and diimine ligands (general formula [Cu(P ∧ P)(N ∧ N)] + ) have been successfully developed, and efficient EL devices based on this kind of Cu(I) complexes have been fabricated (Cheng et al, 2015; Osawa et al, 2015; Liang et al, 2016; Lin et al, 2017; Zhang et al, 2017; Alkan-Zambada et al, 2018; Keller et al, 2018; Liu et al, 2018; Brunner et al, 2019).…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Structures, and Photophysical Properties of Novel Four-Coordinate Cu(I) Complexes Supported by Chelating N-Heterocyclic Carbene Ligands

Wang

Sun

et al. 2019

Front. Chem.

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Luminescent Cu(I) complexes are promising emitting materials for electroluminescent devices due to their low cost and abundant resources, as well as high emission efficiency. It is well-known that N-heterocyclic carbenes (NHCs) are excellent ligands for transition metal complexes. To investigate the photophysical properties of Cu(I)-NHC complexes, a series of new mononuclear four-coordinate Cu(I) complexes supported by the diphosphine ligand bis[2-(diphenylphosphino)phenyl]ether (POP) and the NHC ligands, consisting of imidazolylidene and pyrimidine units, were synthesized and fully characterized. To tune the photophysical properties of these Cu(I)-NHC complexes, the NHC ligands were attached with electron-withdrawing/donating groups (fluorine, chlorine, methyl and methoxyl) at the pyrimidine unit. All of these Cu(I)-NHC complexes adopt the typical distorted tetrahedral configuration. The electron-donating groups can lead to shorter Cu–N bond distances and longer Cu–C bond distances compared to the electron-withdrawing groups. Theoretical calculation results show that the highest occupied molecular orbitals are mainly distributed on the Cu(I) ion, POP, and carbene unit, while the lowest unoccupied molecular orbitals are mostly located on the pyrimidine unit of NHC ligands. The lowest energy electronic transitions of these Cu(I)-NHC complexes are mainly the metal-to-ligand charge transfer transition and ligand-to-ligand charge transfer transition. These Cu(I)-NHC complexes in solid state show tunable emissions from 530 to 618 nm with efficiencies of 0.5–38.1% at room temperature. The photophysical behaviors of these complexes at 298 and 50 K match well with the thermally activated delayed fluorescence (TADF) characteristics.

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“…Selected bond lengths, angles, and distances are listed in Table S2 (ESI †) and fall within the normal ranges. 26,[41][42][43] The P-Cu-P bite angle (121.31) is slightly larger than the idealized 1201, which could be ascribed to steric hindrance. Additionally, the relatively stronger s-donating P1 in L leads to a P1-Cu-I angle of 119.61, while the P2 gives a slightly smaller angle of only 116.31.…”

Section: Synthesis and Characterizationmentioning

confidence: 99%

Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions

Yin

Liu

et al. 2022

New J. Chem.

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Near-saturated red emitters: four-coordinate copper(i) halide complexes containing 8-(diphenylphosphino)quinoline and 1-(diphenylphosphino)naphthalene ligands

Cited by 24 publications

References 41 publications

Computer-Aided Design of Luminescent Linear N-Heterocyclic Carbene Copper(I) Pyridine Complexes

Computer-Aided Design of Luminescent Linear N-Heterocyclic Carbene Copper(I) Pyridine Complexes

Synthesis, Structures, and Photophysical Properties of Novel Four-Coordinate Cu(I) Complexes Supported by Chelating N-Heterocyclic Carbene Ligands

Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions

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