The thesis is about the study on the mechanisms of photochemistry of selected blebbistatin derivatives and arylphosphiranes, which have potential applications of drug delivery and organic synthesis respectively. The major technologies to reveal the mechanisms are transient spectroscopy and DFT calculation. The dataset includes the raw data of calculated spectra and transient absorption spectra in the thesis. These data provided the valid evidence of the mechanisms of the studied reactions. The files were named with the name of samples. The data can be transferred to figures and analysed by origin.