Highly Efficient Blue Phosphorescence from Triarylboron-Functionalized Platinum(II) Complexes of N-Heterocyclic Carbenes

Abstract

The first examples of BMes(2)-functionalized NHC chelate ligands have been achieved. Their Pt(II) acetylacetonate complexes have been synthesized and fully characterized. These NHC-chelate Pt(II) compounds display highly efficient blue or blue-green phosphorescence in solution (Φ = 0.41-0.87) and the solid state (Φ = 0.86-0.90). Highly efficient electroluminescent devices based on these new Pt(II) compounds have also been fabricated.

Thermally Activated Delayed Fluorescence Emitters for Deep Blue Organic Light Emitting Diodes: A Review of Recent Advances

“…The large FWHM of 71 nm of 21 certifies that 22 shows a very narrow emission spectrum as a TADF emitter. As expected, deep blue TADF OLEDs with a FWHM of 48 nm, a high EQE of 14.0%, and chromaticity coordinates of (0.14, 0.12) were obtained using the newly designed deep blue TADF emitter (22). Pan et al also used cyano acceptor to design TADF materials (23, Figure 5) [87].…”

DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent platinum(II) complexes with triarylboron/triarylnitrogen-functionalized N-heterocyclic carbene chelate ligands

“…The ground state and the lowest lying triplet excited state geometries were carried out using the density functional theory (DFT) [23] with hybrid Hartree-Fock/density functional model based on the PBE0 [24][25][26]. Restricted and unrestricted formalisms were adopted in the singlet and triplet geometry optimization, respectively, which have been proven to be particularly efficient and accurate for the calculation of transition metal complexes [22]. Vibrational frequencies were calculated at the same theoretical level to confirm that each configuration was a minimum on the potential energy surface.…”

“…The structure parameters of complexes 1a and 2a ( Figure 1) have been calculated with the PBE0, M052X, M062X, and B3LYP methods and compared with the corresponding single-crystal X-ray structure data [22] (Table S1, Supporting Information). The optimized structures of 1a and 2a in the ground state at PBE0 level is shown in Figure 2 along with the numbering of some key atoms.…”

Low-temperature thermodynamic properties of Pt(C5H7O2)2

“…), which are important for electronics, catalysis, and medicine. Fields of the practical application of these compounds are always expanding [4][5][6]. Information about the various physical and chemical properties of precursors, including the thermodynamic properties, is necessary for optimization of technological processes.…”