Data related to Catalytic methodologies for the valorization of C2 hydrocarbons and mechanistic studies

Description Cartesian coordinates associated with Cu-catalyzed enantio- and diastereoselective allylboration of alkynes, allenes and acetylene with allylic gem-dichlorides included in the thesis dissertation titled "Catalytic methodologies for the valorization of C2 hydrocarbons and mechanistic studies". Energy values, associated energy corrections and negative frequencies (for transition states) are included for each structure.数据集描述 本数据集收录于题为《C₂烃类增值转化催化方法学及机理研究》的学位论文（英文原题：Catalytic methodologies for the valorization of C2 hydrocarbons and mechanistic studies）中，包含铜催化炔烃、丙二烯与乙炔偕二氯代烯丙基发生对映选择性及非对映选择性烯丙基硼化反应的相关笛卡尔坐标（Cartesian coordinates）。 每个反应结构均附带能量数值、关联能量校正值，以及过渡态对应的负频率数据。