Supporting data for thesis “Photophysics and Applications of Biligand-Protected AuCd alloys and Cationic Gold Nanoclusters”

Supporting data for “Photophysics and Applications of Biligand-Protected AuCd alloys and Cationic Gold Nanoclusters”. Folder [Chapter 3], titiled 'Tuning Photoluminescence in Icosahedral AuCd Alloy Nanoclusters via Surface Engineering' in the thesis, TDDFT calclulation results and cif files of the synthezsied nanoclusters, 1H&13C NMR spectral data of the catalytic products are deposited. Folder [Chapter 4], titiled 'Ligand Engineering Unlocks Vibrant TADF in a Series of Au12Cd2 Alloys, Transitioning from Bright Orange to Deep Red' in the thesis, cif files and TDDFT calclulation results of the synthezsied nanoclusters are deposited. Folder [Chapter 5], titiled 'Optimizing Red to Blue Light Triplet–Triplet Annihilation Upconversion Efficiency in [Au21(SR)12(DPPM)2]+ Nanoclusters through Thiolate Ligand Engineering' in the thesis, cif files of the synthezsied nanoclusters are deposited. Folder [Chapter 6], titiled 'Deep Red Light–Induced [Au21(DP)2(SR)12]+/Nickel Dual Catalysis for the Efficient C N Bond Formation Between Heteroaryl/Aryl Halides and Cyclic Secondary Amine', cif files of the synthezsied nanoclusters, and 1H&13C&19F&31P NMR spectral data of the catalytic products are deposited.本数据集为《双配体保护AuCd合金与阳离子金纳米团簇的光物理性质及应用》一文的支撑数据。 第三章对应的文件夹命名为《通过表面工程调控二十面体AuCd合金纳米团簇的光致发光性能》，其中收录了所合成纳米团簇的含时密度泛函理论（Time-Dependent Density Functional Theory, TDDFT）计算结果与晶体学信息文件（cif），以及催化产物的氢谱（¹H）与碳谱（¹³C）核磁共振光谱数据。 第四章对应的文件夹命名为《配体工程化实现Au₁₂Cd₂合金系列的高效热活化延迟荧光（Thermally Activated Delayed Fluorescence, TADF）：从亮橙色到深红色的发光调控》，其中收录了所合成纳米团簇的晶体学信息文件（cif）与含时密度泛函理论（TDDFT）计算结果。 第五章对应的文件夹命名为《通过硫醇配体工程化优化[Au₂₁(SR)₁₂(DPPM)₂]⁺纳米团簇的红光至蓝光三重态-三重态湮灭上转换效率》，其中收录了所合成纳米团簇的晶体学信息文件（cif）。 第六章对应的文件夹命名为《深红色光诱导[Au₂₁(DP)₂(SR)₁₂]⁺/镍双催化体系实现杂芳基/芳基卤化物与环型仲胺间高效C-N键构建》，其中收录了所合成纳米团簇的晶体学信息文件（cif），以及催化产物的氢谱（¹H）、碳谱（¹³C）、氟谱（¹⁹F）与磷谱（³¹P）核磁共振光谱数据。