A novel planar binuclear zinc hexa(2,3-bis(butylthio)) porphyrazine (bi-ZnPz(SBu)₆) sharing one benzene ring has been synthesized. In order to assess the photocatalytic activity of bi-ZnPz(SBu)₆, it was loaded on neutral Al₂O₃ to form a composite photocatalyst bi-ZnPz(SBu)₆@Al₂O₃, then the degradation of rhodamine B (RhB) in an aerated suspension under simulated sunlight was carried out. It was discovered that the photocatalytic activity of bi-ZnPz(SBu)₆ is two times higher than that of its mononuclear counterpart. A possible mechanism was proposed through theoretical calculation by density functional theory (DFT) and detection of reactive oxygen species by electron spin resonance (ESR) technology. The results show that the HOMO–LUMO energy gap (ΔE_H–L) of bi-ZnPz(SBu)₆ is much smaller than that of its mononuclear counterpart, which is beneficial to the excitation of energy and electron under irradiation of light. Super-powerful signals of singlet oxygen (¹O₂) formed by bi-ZnPz(SBu)₆ indicated that the energy transfer capacity of bi-ZnPz(SBu)₆ was enhanced significantly under irradiation of light while the electron transfer capacity was decreased due to the weakening of the contribution from the active S atoms in the thiobutyl groups in the periphery to the HOMO. This work introduces a novel and promising biomimetic antenna molecule, whose excellent light-harvesting capacity will be favored and admired in the field of solar cells, photocatalysis and photodynamic therapy.

中文翻译：

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具有环形双核硫代卟啉嗪的光催化剂，可通过扩展π电子系统来增强光催化性能†

合成了一种新颖的共享一个苯环的平面双核六（2,3-双（丁硫基））卟啉锌（bi-ZnPz（SBu）₆）。为了评估bi-ZnPz（SBu）₆的光催化活性，将其负载在中性Al ₂ O _3上以形成复合光催化剂bi-ZnPz（SBu）₆ @Al ₂ O ₃，然后降解罗丹明B（在模拟阳光下于充气悬浮液中进行RhB）。发现bi-ZnPz（SBu）₆的光催化活性是单核对应物的两倍。通过密度泛函理论（DFT）的理论计算和电子自旋共振（ESR）技术检测活性氧，提出了一种可能的机制。结果表明，bi-ZnPz（SBu）₆的HOMO-LUMO能隙（ΔE _H-L）比其单核对应物小得多，这有利于光照射下能量和电子的激发。超强单线态氧（信号¹ ö ₂通过双ZnPz（SBU）形成）₆表明，双ZnPz的能量传递容量（SBU）₆在光的照射下，H 2 O 3显着增强，而由于外围的硫代丁基中的活性S原子对HOMO的贡献的减弱，使电子传递能力降低。这项工作介绍了一种新颖而有前途的仿生天线分子，其极佳的光收集能力将在太阳能电池，光催化和光动力疗法领域受到青睐和赞赏。