It Matters Where the Heavy Atom is Placed: Optimizing the Spin-Orbital Coupling in Multiresonant TADF (MR-TADF) Emitters and Its Impact on OLED Performance (dataset)

The open data folder includes four sub-folders: computations, compound characterization, optoelectronics, and device. The computations folder includes the .log and .xyz files for investigated compounds. The compound characterization folder includes NMR (FID and MNova files), data of the intermediates and NMR (FID and MNova files), HRMS (PDF), EA (PDF) and HPLC (PDF) data of the compounds. The Optoelectronics folder includes the Origin files used for plotting spectra. The Photophysics folder includes the raw data and Origin files of UV-vis absorption spectra in solutions, SSPL, TRPL spectra and PLQY measurements in solutions and films, ΔEST measurements in solution and films. The Devices folder includes the Origin files of OLED measurements (EL spectra, JVL and EQE data).