Abstract

A [Cu(phen-Cl₈)(Xantphos)]PF₆·2CH₂Cl₂ (1·2CH₂Cl₂) complex based on octachloro-1,10-phenanthroline (phen-Cl₈) and 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (Xantphos) is prepared and studied. At 298 K, the crystalline form of the complex exhibits intense thermally activated delayed fluorescence (TADF) in the orange-red region with a quantum yield of 67% and a decay time of 2 µs. Upon cooling down to 77 K, the emission maximum exhibits a bathochromic shift from 622 nm to 650 nm, and the decay time increases up to 550 µs. Photoluminescence of the synthesized complex is additionally studied in the poly(methyl methacrylate) (PMMA) matrix and in a CH₂Cl₂ solution; the complex is shown to be X-ray luminescent. The spectral data and quantum chemical calculations show that the observed TADF is due to the charge transfer from the metal and phosphine ligand to the diimine group.

中文翻译：

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基于八氯-1,10-菲咯啉的铜(I)配合物的高效热激活延迟荧光

摘要

基于八氯-1,10-菲咯啉 ( phen-Cl ₈ )和 4,5-bis的[Cu(phen -Cl ₈ )(Xantphos)]PF ₆ ·2CH ₂ Cl ₂ ( 1 ·2CH ₂ Cl ₂ ) 络合物制备并研究了(二苯基膦)-9,9-二甲基呫吨(Xantphos)。在 298 K 时，该配合物的晶型在橙红色区域表现出强烈的热激活延迟荧光 (TADF)，量子产率为 67%，衰减时间为 2 µs。冷却至 77 K 后，发射最大值呈现从 622 nm 到 650 nm 的红移，并且衰减时间增加至 550 µs。另外还研究了合成复合物在聚甲基丙烯酸甲酯 (PMMA) 基质和 CH ₂ Cl ₂溶液中的光致发光；该复合物显示出 X 射线发光。光谱数据和量子化学计算表明，观察到的TADF是由于从金属和膦配体到二亚胺基团的电荷转移所致。