C-H activation and C-C coupling of arenes promoted by a room-temperature-stable barium electride

This dataset contains epxerimental data and theoretical calculations outputs in support of an imminent paper submission. The supporting data contains NMR spectroscopic analysis (multinuclear NMR), UV-vis spectroscopic data, Infra-red spectroscopic data and SQUID magnetometry. Additionally, the folder contain crystallographic data in the form of .cif file (Crystallography Information File), which contain essential metric parameters characteristic for each molecular structure.

本数据集包含实验数据与理论计算输出结果，用于支撑一篇即将提交的学术论文。该数据集配套的支撑数据涵盖核磁共振波谱（Nuclear Magnetic Resonance, NMR）分析（多核NMR）、紫外-可见吸收光谱数据、红外光谱数据以及超导量子干涉器件（Superconducting Quantum Interference Device, SQUID）磁学测量数据。此外，该文件夹还包含.cif格式的晶体学信息文件（Crystallography Information File），其中收录了每种分子结构特有的关键度量参数。