scholarly journals Hinged and Wide: A New P^P Ligand for Emissive [Cu(P^P)(N^N)][PF6] Complexes

Molecules ◽  
2019 ◽  
Vol 24 (21) ◽  
pp. 3934 ◽  
Author(s):  
Sarah Keller ◽  
Matthias Bantle ◽  
Alessandro Prescimone ◽  
Edwin C. Constable ◽  
Catherine E. Housecroft

Heteroleptic [Cu(BIPHEP)(N^N)][PF6] complexes (BIPHEP = 1,1′-biphenyl-2,2′-diylbis(diphenylphosphane)), in which N^N is 2,2′-bipyridine (bpy), 6-methyl-2,2′-bipyridine (6-Mebpy), 6-ethyl-2,2′-bipyridine (6-Etbpy), or 5,5′-dimethyl-2,2′-bipyridine (5,5′-Me2bpy), have been synthesized and characterized using multinuclear NMR spectroscopies and electrospray ionization mass spectrometry. The single crystal structures of [Cu(BIPHEP)(bpy)][PF6]∙CH2Cl2, [Cu(BIPHEP)(5,5′-Me2bpy)][PF6]∙CH2Cl2, [Cu(BIPHEP)(6-Mebpy)][PF6]∙Et2O∙0.5H2O and [Cu(BIPHEP)(6-Etbpy)][PF6] confirm distorted tetrahedral {Cu(P^P)(N^N)} coordination environments. Each compound shows a quasi-reversible Cu+/Cu2+ process. In deaerated solution, the compounds are weak emitters. Powdered samples are yellow emitters (λemmax in the range 558–583 nm) and [Cu(BIPHEP)(5,5′-Me2bpy)][PF6] exhibits the highest photoluminescence quantum yield (PLQY = 14%). On cooling to 77 K (frozen 2-methyloxolane), the emission maxima are red-shifted and the excited state lifetimes increase from τ1/2 < 8 μs, to τ1/2 values of up to 53 μs, consistent with the compounds with N^N = 6-Mebpy, 6-Etbpy and 5,5′-Me2bpy exhibiting thermally activated delayed fluorescence (TADF).

Author(s):  
Dong Jin Shin ◽  
Jun Seop Lim ◽  
Jun Yeob Lee

A thermally activated delayed fluorescence (TADF) molecule with high reverse intersystem crossing rate accompanied by high photoluminescence quantum yield was developed by combinatorial donor engineering of bicarbazole and 12H-benzofuro[3,2-a]carbazole. The...


2021 ◽  
Author(s):  
Stephanie Montanaro ◽  
Piotr Pander ◽  
Mark Elsegood ◽  
Simon Teat ◽  
Andrew Bond ◽  
...  

A fundamental problem facing thermally activated delayed fluorescence (TADF) is to overcome the paradox of efficient electronic transitions and a narrow singlet-triplet energy gap (ΔEST) in a single luminophore. We present a quinoxaline-based TADF iptycene as the first clear example that homoconjugation can be harnessed as a viable design strategy toward this objective. Homoconjugation was introduced in an established TADF luminophore by trimerization through an iptycene core. This homoconjugation was confirmed by electrochemistry. As a direct consequence of homoconjugation we observed synergistic improvements to photoluminescence quantum yield (ΦPL), radiative rate of singlet decay (krS), delayed fluorescence lifetime (τTADF), and rate of reverse intersystem crossing (krISC), while narrowing the ΔEST. The cooperative enhancement is rationalised with TD-DFT calculations including spin-orbit coupling (SOC). A facile synthesis of this system, and the ubiquity of the pyrazine motif in state-of-the-art TADF materials across the electromagnetic spectrum, leads to a great potential for generality.


2021 ◽  
Author(s):  
Takumi Hosono ◽  
Nicolas Oliveira Decarli ◽  
Paola Zimmermann Crocomo ◽  
Tsuyoshi Goya ◽  
Leonardo Evaristo de Sousa ◽  
...  

Exploring design principle for switching thermally activated dealyed fluorescecne (TADF) and room temperature phosphorescence (RTP) is a fundamentally imporant research in developing triplet-mediated photofunctional organic materials. Herein systematic studies on the regioisomeric and substituents effects in a twisted donor–acceptor–donor (D–A–D) scaffold (A = dibenzo[a,j]phenazine; D = dihydrophenazasiline) on the fate of the excited state have been performed. The study revealed that the regiosiomerism clearly affects the emission behavior of the D–A–D compounds. Distinct difference in TADF, dual TADF & RTP, and dual RTP were observed, depending on the host used. Furthermore, OLED organic light-emitting diodes (OLEDs) fabricated with the developed emitters achieved high external quantum yields for RTP-based OLEDS up to 7.4%.


2021 ◽  
Vol 57 (82) ◽  
pp. 10675-10688
Author(s):  
Alexander M. Polgar ◽  
Zachary M. Hudson

The use of thermally activated delayed fluorescence molecules as photosensitizers is covered with emphasis on strategies employed to control their excited state behaviour to suit a particular application.


2020 ◽  
Vol 8 (1) ◽  
pp. 98-108 ◽  
Author(s):  
Guanyu Jiang ◽  
Feiyan Li ◽  
Jianzhong Fan ◽  
Yuzhi Song ◽  
Chuan-Kui Wang ◽  
...  

Excited-state intramolecular proton transfer (ESIPT) and thermally activated delayed fluorescence (TADF) mechanisms in solid phase is revealed theoretically.


2017 ◽  
Vol 5 (33) ◽  
pp. 8390-8399 ◽  
Author(s):  
Jianzhong Fan ◽  
Lili Lin ◽  
Chuan-Kui Wang

Investigation about the excited state properties to reveal the AIE and TADF mechanisms using a QM/MM method.


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