“…The lowest‐energy feature in the spectra of complexes cis / trans ‐ C , C *‐ 3 covers the range 360–450 nm and appears to include several absorptions, the intensity and energy of which are typical of the primarily 1 MLCT transitions usually observed for Pt II complexes with cyclometalated arylpyridine ligands . Similar absorptions have been observed for related complexes of the type cis ‐ C , C* ‐[PtCl(C^N)(L)], where C^N is a cyclometalated 2‐arylpyridine and L represents a 2‐imidazolylidene ligand …”
Section: Resultssupporting
confidence: 53%
“…Complex cis ‐ C , C *‐ 3 presents the highest k nr value of the studied series in CH 2 Cl 2 at 298 K and a lower than expected k r value, resulting in a very weak emission. Related complexes of the type cis‐C , C* ‐[PtCl(C^N)(L)] exhibit quantum yields in the range Φ =0.054–0.079 in the same medium …”
Section: Resultsmentioning
confidence: 99%
“…[68] Similar absorptions have been observed for related complexes of the type cis-C,C*-[PtCl(C^N)(L)],w here C^N is a cyclometalated 2-arylpyridine and Lr epresents a2 -imidazolylidene ligand. [69] The main features observed in the spectrum of 4 are typical of complexes of the type [Pt(C^N^C)L]. [70][71][72] The moderately intense absorptions in the range 330-400 nm can mainly be ascribed to 1 LC transitions within the dtpy ligand,a nd the long tail in the range 400-500nmt ot he primarily 1 MLCT transitions involving the same ligand.…”
The synthesis, structure, and photophysical properties of luminescent PtIV complexes that combine cyclometalated 1,2,3‐triazolylidene and bi‐ or terdentate 2,6‐diarylpyridine ligands are reported. The targeted complexes represent the first examples of PtIV species with a cyclometalated mesoionic aryl‐NHC ligand. They exhibit moderate or weak emissions in fluid solution at 298 K arising from 3LC states, which become very intense in poly(methyl methacrylate) (PMMA) matrices at 298 K. DFT and TD‐DFT calculations confirm that the chromophoric ligand is the cyclometalated 2,6‐diarylpyridine and show that the aryl‐NHC ligand exerts a beneficial effect on the emission efficiencies of these derivatives by increasing the energy of deactivating LMCT excited states with respect to comparable PtIV complexes with cyclometalated 2‐arylpyridine ligands.
“…The lowest‐energy feature in the spectra of complexes cis / trans ‐ C , C *‐ 3 covers the range 360–450 nm and appears to include several absorptions, the intensity and energy of which are typical of the primarily 1 MLCT transitions usually observed for Pt II complexes with cyclometalated arylpyridine ligands . Similar absorptions have been observed for related complexes of the type cis ‐ C , C* ‐[PtCl(C^N)(L)], where C^N is a cyclometalated 2‐arylpyridine and L represents a 2‐imidazolylidene ligand …”
Section: Resultssupporting
confidence: 53%
“…Complex cis ‐ C , C *‐ 3 presents the highest k nr value of the studied series in CH 2 Cl 2 at 298 K and a lower than expected k r value, resulting in a very weak emission. Related complexes of the type cis‐C , C* ‐[PtCl(C^N)(L)] exhibit quantum yields in the range Φ =0.054–0.079 in the same medium …”
Section: Resultsmentioning
confidence: 99%
“…[68] Similar absorptions have been observed for related complexes of the type cis-C,C*-[PtCl(C^N)(L)],w here C^N is a cyclometalated 2-arylpyridine and Lr epresents a2 -imidazolylidene ligand. [69] The main features observed in the spectrum of 4 are typical of complexes of the type [Pt(C^N^C)L]. [70][71][72] The moderately intense absorptions in the range 330-400 nm can mainly be ascribed to 1 LC transitions within the dtpy ligand,a nd the long tail in the range 400-500nmt ot he primarily 1 MLCT transitions involving the same ligand.…”
The synthesis, structure, and photophysical properties of luminescent PtIV complexes that combine cyclometalated 1,2,3‐triazolylidene and bi‐ or terdentate 2,6‐diarylpyridine ligands are reported. The targeted complexes represent the first examples of PtIV species with a cyclometalated mesoionic aryl‐NHC ligand. They exhibit moderate or weak emissions in fluid solution at 298 K arising from 3LC states, which become very intense in poly(methyl methacrylate) (PMMA) matrices at 298 K. DFT and TD‐DFT calculations confirm that the chromophoric ligand is the cyclometalated 2,6‐diarylpyridine and show that the aryl‐NHC ligand exerts a beneficial effect on the emission efficiencies of these derivatives by increasing the energy of deactivating LMCT excited states with respect to comparable PtIV complexes with cyclometalated 2‐arylpyridine ligands.
“…In contrast, phosphorescent transition metal complexes as triplet dopant emitters would harvest both the singlet and triplet excitons as light due to the efficient intersystem crossing (ISC) via spineorbit coupling (SOC) induced by the transition metal ions, so PHOLEDs could exhibit near-unity internal electroluminescence quantum efficiency [5]. In this area, d 6 transition-metal based complexes, e.g., Ir(III) species or d 8 transition-metal based complexes, e.g., Pt(II) species have attracted extensive interest due to their prominent advantages of the stability in various media and under different conditions and easily tunable emission energy by the modulation in the electronic and structural characteristics of the ligands [6].…”
“…Recently, as a typical of deep blue phosphorescent material, cyclometalated N‐heterocyclic carbene (NHC)‐based transition metal complexes have obtained a great deal of attention in the field of organic light‐emitting diodes (OLEDs) . In general, the NHC ligands stand out among all the coordinated ligands because they are in possession of strong σ‐bonding, simply tunable steric as well as extraordinary electronic properties.…”
Uncovering the photodeactivation mechanisms of unique N‐heterocyclic carbene (NHC)‐based transition metal complexes is favorable for designing more high‐efficiency phosphorescent materials. In this work, four bidentate platinum (II) complexes with NHC‐chelate are investigated by the density functional theory (DFT) and time‐dependent density functional theory (TDDFT) to probe into how the ring size of NHC‐chelate unit influences on electronic structures and the phosphorescent properties. To illustrate the photodeactivation mechanisms clearly, three significant photodeactivation processes (radiative decay process, temperature‐independent and temperature‐dependent nonradiative decay processes) were taken into consideration. We stated that radiative decay rate constants kr slightly increased with declined number of NHC‐chelate ring, owing to the gradually larger SOC matrix elements between the T1 state and Sn states. Combining the temperature‐independent with temperature‐dependent nonradiative decay processes, the nonradiative decay rate knr is Pt‐4 (five‐membered) < Pt‐3 (six‐membered) < Pt‐2 (seven‐membered) < Pt‐1 (eight‐membered). The calculated results testify that the decrease of size of the NHC chelating unit is a reliable insurance to improve the quantum yield. The designed complex Pt‐4 with five‐membered NHC‐ring can serve as a highly efficient phosphorescent material in the future. The results indicated controlling the ring size of NHC‐chelate is a feasible method to tune phosphorescence properties of Pt (II) complexes.
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