Two luminescent cyclometalated iridium(III) complexes coordinated with electron-withdrawing 5,5′-bis(trifluoromethyl)-2,2′-bipyridine (dCF₃bpy) ligand [Ir(C^N)₂(dCF₃bpy)]PF₆ {H-C^N = 2-phenylpyridine (Hppy) for [1]PF₆ and 2-(2,4-difluorophenyl)pyridine (HF₂ppy) for [2]PF₆}, which work as the robust photosensitizers, were synthesized and characterized by experimental and theoretical analyses. Obtained [1]PF₆ and [2]PF₆ showed yellow light emissions (559 and 578 nm, respectively) with relatively long lifetimes (728 and 739 nsec, respectively) at room temperature in CH₂Cl₂. Density functional theory (DFT) calculations clarified that these emissions were assigned as the phosphorescence derived from the mixed metal-ligand-to-ligand charge transfer (MLLCT) excited states. Potential photoredox abilities of [1]PF₆ and [2]PF₆ as the photosensitizers were also closely investigated by cyclic voltammetries (CVs), Stern-Volmer plots, and photochemical hydrogen evolution reactions. The results of these experiments indicated that [1]PF₆ and [2]PF₆ have substantial photosensitizing abilities; (i) reductive quenching of excited states of [1]PF₆ and [2]PF₆ by triethylamine (TEA) were observed in 10% aqueous THF, (ii) the systems involving of [1]PF₆ (or [2]PF₆), K₂PtCl₄, and TEA, which were served as the photosensitizer, H₂ evolution catalyst, and sacrificial donor, respectively, showed highly efficient H₂ evolution activities, and (iii) [1]PF₆ and [2]PF₆ have good durabilities in the photochemical H₂ evolution reactions for a long time. The turnover numbers (TONs) of H₂ evolution based on [1]PF₆ and [2]PF₆ at 96 h of irradiation were reached at 758 and 832 TONs, respectively, which were higher than that based on a well-known photosensitizer [Ir(ppy)₂(bpy)]PF₆ (659 TON).

两个发光的环金属化铱（III）配合物与吸电子的5,5'-双（三氟甲基）-2,2'-联吡啶（dCF ₃ bpy）配体[Ir（C ^ N）₂（dCF ₃ bpy）] PF ₆ {H- C ^ N  = 2-苯基吡啶（Hppy）为[1] PF ₆和2-（2,4-二氟苯基）吡啶（HF ₂ PPY）为[2] PF ₆ }，其工作为健壮光敏剂通过实验和理论分析进行合成和表征。获得[1] PF ₆和[2] PF ₆在室温下，CH ₂ Cl _2中显示出黄光发射（分别为559和578 nm），具有较长的寿命（分别为728和739 ns）。密度泛函理论（DFT）计算表明，这些发射被指定为源自混合的金属-配体到配体电荷转移（MLLCT）激发态的磷光。[1] PF ₆和[2] PF ₆作为光敏剂的潜在光氧化还原能力也通过循环伏安法（CV），Stern-Volmer图和光化学氢释放反应进行了密切研究。这些实验的结果表明[1] PF ₆和[2] PF ₆具有显着的光敏能力；（i）在10％的THF水溶液中观察到三乙胺（TEA）对[1] PF ₆和[2] PF ₆激发态的还原猝灭，（ii）涉及[1] PF ₆（或[2]分别用作光敏剂，H ₂析出催化剂和牺牲供体的PF ₆），K ₂ PtCl ₄和TEA显示出高效的H ₂析出活性，以及​​（iii）[1] PF ₆和[2] ] PF ₆在光化学H _2中具有良好的耐久性进化反应很长一段时间。基于[1] PF ₆和[2] PF ₆的H ₂辐照在照射96 h时的H ₂释放的周转数（TONs）分别达到758 TON和832 TON，比基于众所周知的光敏剂的周转数更高。 [Ir（ppy）₂（bpy）] PF ₆（659 TON）。