Au13Cu2纳米团簇的对称性破缺与手性起源

本数据集主要面向Au13Cu2纳米团簇的对称性破缺与手性起源研究，主要记录了以下信息：
1-X射线单晶衍射——将单晶取出，挑选高质量单晶，固定在测单晶专用的底座上，然后进行测试。测试1-X射线单晶衍射数据所用光源为Mo-Kα 射线 (λ= 0.71073 Å)；测试2,3单晶衍射数据所用光源为Cu-Kα 射线 (λ= 1.54178 Å)；温度均为170.00 K。获得的晶体数据采用CrysAlis 程序进行吸收校正。晶体结构解析采用SHELXTL-2014 程序；精修处理采用Olex2 程序。单晶中的溶剂分子在PLATON软件通过SQUEEZE程序去除
2-紫外可见吸收光谱——将团簇单晶溶于二氯甲烷，稀释到合适浓度进行测试。常温下进行测试
3-电喷雾电离质谱——将团簇单晶溶于二氯甲烷，稀释到合适溶度立即进行质谱测试
4-圆二色光谱——将手性Au13Cu2团簇单晶溶于二氯甲烷溶液中，立即进行测试。常温下进行测试，获得数据。将手性Au13Cu2团簇单晶溶于DMF溶液中，分别加热至40，50，60，70摄氏度，同时通过圆二色光谱仪检测波长为358nm处的圆二色光谱信号变化，获得数据。

This dataset is primarily intended for research on symmetry breaking and chiral origin of Au₁₃Cu₂ nanoclusters, and mainly records the following information:
1. Single-crystal X-ray diffraction: Take out the single crystals, select high-quality ones, fix them on the dedicated mount for single-crystal diffraction, and then perform the test. The radiation source for the first single-crystal X-ray diffraction data collection is Mo-Kα radiation (λ= 0.71073 Å); the radiation sources for the second and third single-crystal diffraction data collections are Cu-Kα radiation (λ= 1.54178 Å). All tests were conducted at 170.00 K. The obtained crystal data were corrected for absorption using the CrysAlis software. The crystal structure was solved with the SHELXTL-2014 program, and refined using the Olex2 program. Solvent molecules in the single crystals were removed via the SQUEEZE function in PLATON software.
2. UV-Vis absorption spectroscopy: Dissolve the cluster single crystals in dichloromethane, dilute to an appropriate concentration for testing. The test was carried out at room temperature.
3. Electrospray ionization mass spectrometry (ESI-MS): Dissolve the cluster single crystals in dichloromethane, dilute to an appropriate concentration, and immediately perform the mass spectrometry test.
4. Circular dichroism (CD) spectroscopy: Dissolve the chiral Au₁₃Cu₂ cluster single crystals in dichloromethane solution and test immediately. The test was conducted at room temperature to obtain the data. Dissolve the chiral Au₁₃Cu₂ cluster single crystals in DMF solution, heat them to 40, 50, 60, and 70 degrees Celsius respectively, and detect the changes in CD signal at 358 nm wavelength using a CD spectrometer to obtain the corresponding data.

搜集汇总

背景与挑战

背景概述

该数据集聚焦于Au13Cu2纳米团簇的对称性破缺与手性起源研究，提供了X射线单晶衍射、紫外可见吸收光谱、电喷雾电离质谱和圆二色光谱等关键实验数据，数据量为775.62KB，包含5个文件。数据集由厦门大学研究人员创建，属于化学学科领域，旨在支持纳米团簇的结构和手性性质分析。