Data underlying the research of: E-selective Semi-hydrogenation of Alkynes by a Diruthenium Hydride Complex

The files contain the Nuclear Magnetic Resonance spectra of all compounds reported and input/output files of the ORCA calculations within this publication. All files are processed MestReNova files, which are easily interpretable and can be used for facile comparison with locally produced spectra. Raw FIDs can readily be extracted with the same software.

本数据集包含本文献中报道的所有化合物的核磁共振（Nuclear Magnetic Resonance）谱图，以及本文献内ORCA计算的输入/输出文件。所有文件均为经MestReNova软件处理后的格式文件，易于解读，可便捷与本地生成的谱图进行比对。此外，原始自由感应衰减（Free Induction Decay, FID）数据可通过同款软件直接提取。