Identifying routes for transferring spin polarization from parahydrogen to protic solvents

NMR data and MATLAB codes supporting the publication 'Identifying routes for transferring spin polarization from parahydrogen to protic solvents'. The NMR_data file enables to reconstruct the PTF profiles, the solvent lifetime calculations, and the molar polarization values for each solution. The SABRE_2D data file contains the 2D-OPSY-COSY sequence for elucidation of the catalyst structure 2a-d. The Codes folder contains the MATLAB codes for construction of the PTF profiles and the solvent lifetime plots. The PDF file contains the specific details on which data is used for which figure.本数据集包含支撑学术论文《Identifying routes for transferring spin polarization from parahydrogen to protic solvents》（题为“仲氢向质子性溶剂的自旋极化转移路径识别”）的核磁共振波谱（Nuclear Magnetic Resonance, NMR）数据与MATLAB代码。其中，NMR_data文件可用于复现各溶液的PTF曲线、溶剂寿命计算结果与摩尔极化率数值；SABRE_2D数据文件包含用于解析催化剂结构2a-d的2D-OPSY-COSY序列数据；Codes文件夹中存放了用于绘制PTF曲线与溶剂寿命图的MATLAB代码；PDF文件则详细说明了各学术图表对应的数据源细节。