In this study, 1,2-bis(diphenylphosphino)ethane (dppe) ligands are used to synthesize gold nanoclusters with an icosahedral Au₁₃ core. The nanoclusters are characterized and formulated as [Au₁₃(dppe)5Cl₂]Cl₃ using synchrotron radiation X-ray diffraction, UV/Vis absorption spectroscopy, electrospray ionization mass spectrometry, and density functional theory (DFT) calculations. The bidentate feature of dppe ligands and the positions of coordinating surface gold atoms induce a helical arrangement that forms a propeller-like structure, which reduces the symmetry of the gold nanocluster to C₁. Therefore, dppe ligands perform as a directing agent to create chiral an ansa metallamacrocycle [Au₁₃(dppe)₅Cl₂]³⁺ nanocluster, as confirmed by simulated electronic circular dichroism spectrum. The highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gap of the [Au₁₃(dppe)₅Cl₂]³⁺ cluster is determined as approx. 1.9 eV, and further confirmed by ultraviolet photoemission spectroscopy analysis and DFT simulation. Furthermore, the photoactivity of [Au₁₃(dppe)₅Cl₂]³⁺ is investigated, with the nanocluster shown to possess near-infrared photoluminescence properties, which can be employed for ¹O₂ photogeneration. The quantum yield of ¹O₂ photogeneration using the [Au₁₃(dppe)₅Cl₂]³⁺ nanocluster is up to 0.71, which is considerably higher than those of anthracene (an organic dye), and Au₂₅ and Au₃₈ nanoclusters.

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在这项研究中，1,2-双（二苯基膦基）乙烷（dppe）配体用于合成具有二十面体Au ₁₃核的金纳米团簇。使用同步加速器辐射X射线衍射，UV / Vis吸收光谱，电喷雾电离质谱和密度泛函理论（DFT）计算，将纳米团簇表征为[Au ₁₃（dppe）5Cl ₂ ] Cl ₃。dppe配体的双齿特征和配位的表面金原子的位置引起螺旋状排列，形成螺旋桨状结构，从而将金纳米簇的对称性降低为C ₁。因此，dppe配体起着指导剂的作用，可形成手性的ansa metallamacrocycle [Au ₁₃（dppe）₅ Cl ₂ ] ³⁺纳米团簇，通过模拟的电子圆二色性光谱证实。[Au ₁₃（dppe）₅ Cl ₂ ] ³⁺簇的最高占据分子轨道（HOMO）-最低未占据分子轨道（LUMO）间隙被确定为。1.9 eV，并通过紫外光发射光谱分析和DFT模拟进一步证实。此外，光活性[金₁₃（DPPE）₅氯₂ ] ³⁺进行了研究，以显示具有近红外光致发光性能的纳米团簇，其可以被用于¹ ö₂光生。使用[Au ₁₃（dppe）₅ Cl ₂ ] ³⁺纳米簇进行¹ O ₂光生的量子产率高达0.71，这大大高于蒽（一种有机染料）以及Au ₂₅和Au ₃₈纳米簇。

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