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，NMR）谱图，以及本文所涉及的ORCA量子化学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，其可读性强，可便捷用于与本地采集的谱图进行比对。使用该软件即可快速提取原始自由感应衰减（Free Induction Decay，FID）数据。