On the short and long phosphorescence lifetimes of aromatic carbonyls

The datasets generated during the study of phosphorescence lifetimes of aromatic carbonyl compounds. The molecules studied are: benzaldehyde (BA), 4-methylbenzaldehyde (MeBA), 4-methoxybenzaldehyde (MoBA), 4-dimethylaminobenzaldehyde (DMABA). The repository contains the Cartesian coordinate of stationary structures and the raw data of the NEA simulations of emission spectra. The NEA phosphorescence method was implemented in Newton-X and is publicly available (www.newtonx.org).