Abstract

A series of emissive Cu(I) cationic complexes with 3-(2-pyridyl)-5-phenyl-pyrazole and various phosphines: dppbz (1), Xantphos (2), DPEPhos (3), PPh3 (4), and BINAP (5) were designed and characterized. Complexes obtained exhibit bright yellow-green emission (ca. 520–650 nm) in the solid state with a wide range of QYs (1–78%) and lifetimes (19–119 µs) at 298 K. The photoluminescence efficiency dramatically depends on the phosphine ligand type. The theoretical calculations of buried volumes and excited states explained the emission behavior for 1–5 as well as their lifetimes. The bulky and rigid phosphines promote emission efficiency through the stabilization of singlet and triplet excited states.

Highlights

  • Nitrogen-containing ligands play an important role in the coordination chemistry of group 11 metals

  • Collins et al have demonstrated that the cationic copper(I) complex with nonworks were published on the study of the photophysical properties of both neutral and deprotonated pyrazole-pyridine with sulfonamide substituent is a bifunctional catalyst for cationic complexes with pyridine-amines (pyrazole, triazole, tetrazole, benzimidazole, proton-coupled electron transfer (PCET) processes [39]

  • Our study has shown that, that for high QY of MLCT phosphorescence, one requires bulk loading of the metal atom, which could be effectively achieved by changing phosphine from DPEPhos to Xantphos

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Summary

Introduction

Nitrogen-containing ligands play an important role in the coordination chemistry of group 11 metals. The photophysical ilarbehavior trinuclear complexes possess efficient, long-lived photoluminescence due to MLCTare of copper(I) complexes with pyridine-pyrazole/triazole/tetrazole ligands (metal-to-ligand charge-transfer) transitions of the high-lying. MLCT published on the study of the photophysical properties of both neutral and cationic com(metal-to-ligand charge-transfer) transitions of the high-lying ISC (intersystem crossing) plexes with pyridine-amines (pyrazole, triazole, tetrazole, benzimidazole, etc.) [28]. Collins et al have demonstrated that the cationic copper(I) complex with nonworks were published on the study of the photophysical properties of both neutral and deprotonated pyrazole-pyridine with sulfonamide substituent is a bifunctional catalyst for cationic complexes with pyridine-amines (pyrazole, triazole, tetrazole, benzimidazole, proton-coupled electron transfer (PCET) processes [39]. Copper complexes with 2-(5-phenyl-1H-pyrazol-3-yl)pyridine and phosphines: dppbz (1), Xantphos (2), DPEPhos (3), PPh3 (4), and

Synthesis
Crystal Structures
Photophysical Properties
Methods
Synthesis and Characterization
Computational Details
Crystal Structure Determination
Conclusions
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