A5000457428- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Organic Light-Emitting Diodes Research
- Organometallic Complex Synthesis and Catalysis
- Lanthanide and Transition Metal Complexes
- Luminescence and Fluorescent Materials
- Molecular Junctions and Nanostructures
- Photochemistry and Electron Transfer Studies
- Magnetism in coordination complexes
- Organic Electronics and Photovoltaics
- Synthesis and characterization of novel inorganic/organometallic compounds
- Metal complexes synthesis and properties
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Nanocluster Synthesis and Applications
University of Regensburg
2016-2020
Neutral Cu(I) and Ag(I) complexes with a new rigid tridentate N,P,P ligand (dmpzpp, 3,5-dimethyl-1-(2-((2-(di-o-tolyl)phosphanyl) (o-tolyl)-phosphanyl)phenyl)-1H-pyrazole), giving Cu(dmpzpp)Cl 6, Cu(dmpzpp)Br 7, Cu(dmpzpp)I 8, Cu(dmpzpp)SPh 9, Ag(dmpzpp)I 10 SPh = thiophenylato, were prepared their crystal structures, TD-DFT electronic phosphorescence thermally activated delayed fluorescence (TADF) properties studied in detail. The photoluminescence quantum yields ΦPL of neat powder...
The three-fold bridged dinuclear Cu(I) complex Cu2(μ-I)2(1N-n-butyl-5-diphenyl-phosphino-1,2,4-triazole)3, Cu2I2(P^N)3, shows bright thermally activated delayed fluorescence (TADF) as well phosphorescence at ambient temperature with a total quantum yield of 85% an emission decay time 7 μs. singlet (S1)–triplet (T1) energy gap is small only 430 cm–1 (53 meV). Spin–orbit coupling induces short-lived 52 μs (T = 77 K) and distinct zero-field splitting (ZFS) T1 into substates by ∼2.5 (0.3 Below T...
The dinuclear Ag(I) complex has been designed to show thermally activated delayed fluorescence (TADF) of high efficiency. Strongly electron-donating terminal ligands are introduced destabilize the d orbitals Ag+ ions. Consequently, distinctly contribute HOMO, whereas LUMO is localized on bridging ligand. This ensures charge transfer character lowest excited singlet S1 and triplet T1 states. Accordingly, a small energy gap ΔE(S1-T1) obtained, being essential for TADF behavior. Photophysical...
Inspired by molecular crystal theory of coupling symmetry-related transition dipole moments, we develop a model for rational design Cu(I) complexes to achieve short TADF (thermally activated delayed fluorescence) decay times. This is, example, important reduce OLED stability problems and roll-off effects. Guided the model, new class dimers focusing on Cu2(tppb)(PPh3)2Cl2 2 (tppb(PPh3)2 = 1,2,4,5-tetrakis(diphenylphosphino)benzene). Indeed, this compounds shows particularly times as evidenced...
Remarkable solvation-induced emission enhancement is discovered on a new Ag(<sc>i</sc>) complex showing sky-blue thermally activated delayed fluorescence (TADF).
In a previous investigation, it was shown that [Cu(tpym)(PPh3)]PF61 with tpym = tris(2-pyridyl)methane represents deep blue emitter (λmax 466 nm) though low emission quantum yield ΦPL if doped in polymer (7%) or dissolved fluid solvent (≪1%). this study, we present new tripod compounds sterically demanding ligands: [Cu(tpym)(P(o-tol)3)]PF62 and [Cu(tpym)(P(o-butyl-ph)3)]PF63 P(o-tol)3 tris(ortho-tolyl)phosphine P(o-butyl-ph)3 tris(ortho-n-butylphenyl)phosphine. These show high yields even...
The structural and photophysical properties of a series new AuI compounds have been studied. reactions AuCl(tht) with the phosphanyl- arsanylboranes RR' EBH2 NMe3 (E=P, As; R=H, Ph; R'=H, Ph, tBu) afford complexes [AuCl(RR' )]. In solid state, [AuCl(H2 PBH2 )]2 (2 a) is dimer showing unsupported intermolecular aurophilic interactions short Au⋅⋅⋅Au distances. contrast, AsBH2 )]n b) aggregates to form 1D chains. Organic substituents on pnictogen atoms lead discrete molecules in )] c: R'=tBu; 2...
A series of dinuclear copper(I) N,C,N- and P,C,P-carbodiphosphorane (CDP) complexes using multidentate ligands CDP(Py)2 (1) (CDP(CH2PPh2)2 (13) have been isolated characterized. Detailed structural information was gained by single-crystal XRD analyses nine representative examples. The common motive is the central double ylidic carbon atom with its characteristic two lone pairs involved in binding geminal L-Cu(I) fragments at Cu-Cu distances range 2.55-2.67 Å. In order to enhance...
A series of dinuclear copper(I) N,C,N- and P,C,P-carbodiphosphorane (CDP) complexes using multidentate ligands CDP(Py)2 (1) (CDP(CH2PPh2)2 (13) have been isolated characterized. Detailed structural information was gained by single crystal XRD analyses nine representative examples. The common motive is the central double ylidic carbon atom with its characteristic two lone-pairs involved into binding geminal L-Cu(I) fragments at Cu-Cu distances in range 2.55 &ndash; 2.67 &Aring;. In...