大位阻配体增强金属团簇的表面配体反应性实现团簇光学和手性特性的调控

本数据集主要面向大位阻配体增强金属团簇的表面配体反应性实现团簇光学和手性特性的调控研究，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，立即固定在测单晶专用的底座上，然后进行测试。所用光源为Cu-Kα 射线 (λ= 1.54178 Å)；测试2-X射线单晶衍射数据所用光源为Mo-Kα 射线 (λ= 0.71073 Å)；温度均为100.00 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——将团簇单晶分别溶于乙醚，甲醇，DMF溶液中，进行测试。常温下进行测试。将团簇单晶分别溶于乙醚，稀释到合适溶度，测试紫外可见吸收光谱获得数据。常温下进行测试。将团簇单晶溶于乙醚，稀释到合适溶度，获得红色溶液，测试紫外可见吸收光谱获得数据；然后加入DMF，溶液变成黄色，加入水除去DMF，溶液变回粉红色，测试紫外可见吸收光谱获得数据。常温下进行测试。将手性Ag14团簇单晶溶于含有2.0×10-2 mmol/mL手性胺的乙醚中，然后进行测试。常温下进行测试。
3-圆二色光谱——手性Ag14团簇单晶溶于含有2.0×10-2 mmol/mL手性胺的乙醚中，然后进行测试。常温下进行测试。

This dataset is primarily intended for research on regulating the optical and chiroptical properties of metal clusters by enhancing the surface ligand reactivity of sterically hindered ligands. The following information is primarily recorded:
1. Single-crystal X-ray diffraction: Single crystals were taken out, high-quality crystals were selected and immediately fixed on a dedicated single-crystal mounting base before testing. Two radiation sources were used: Cu-Kα radiation (λ= 1.54178 Å) and Mo-Kα radiation (λ= 0.71073 Å), with the test temperature maintained at 100.00 K for both. The obtained crystal data were corrected for absorption using the CrysAlis program. Crystal structure determination was conducted with the SHELXTL-2014 program, and refinement was performed using the Olex2 program. Solvent molecules within the single crystals were removed via the SQUEEZE routine in PLATON software.
2. UV-Vis absorption spectroscopy: Single crystals of the clusters were separately dissolved in diethyl ether, methanol and DMF for testing at room temperature. Single crystals of the clusters were dissolved in diethyl ether, diluted to an appropriate concentration, and UV-Vis absorption spectra were measured at room temperature. Single crystals of the clusters were dissolved in diethyl ether, diluted to an appropriate concentration to obtain a red solution, followed by UV-Vis absorption spectroscopy testing at room temperature; then DMF was added, turning the solution yellow, and water was subsequently added to remove DMF, causing the solution to revert to pink, with another UV-Vis absorption spectroscopy test performed at room temperature. Additionally, single crystals of chiral Ag14 clusters were dissolved in diethyl ether containing 2.0×10^-2 mmol/mL chiral amine and tested at room temperature.
3. Circular Dichroism (CD) spectroscopy: Single crystals of chiral Ag14 clusters were dissolved in diethyl ether containing 2.0×10^-2 mmol/mL chiral amine and tested at room temperature.

搜集汇总

背景与挑战

背景概述

该数据集围绕大位阻配体增强金属团簇表面配体反应性、进而调控其光学和手性特性的研究。它主要包含X射线单晶衍射、紫外可见吸收光谱和圆二色光谱的测试数据记录。