tmQMg*

This entry contains the quantum chemistry dataset tmQMg* containing excitation data for 74,281 transition metal complexes (TMCs). It is derived from the graph dataset tmQMg featuring TMCs including all thirty elements from the 3d, 4d, and 5d series. This dataset contains data such as the maximum absorption wavelengths and oscillator strengths as well as band broadness in the visible, ultraviolet and near-infrared ranges. Furthermore, the nature of charge transitions corresponding to the strongest excitation in the visible range has been determined for each TMC. All data has been determined in gas phase and acetone so that additional solvatochromism data could be determined.