Diffusion Coefficients of Electronically Excited Molecules

The work is devoted to the study of the influence of electronic excitation of molecules on their diffusion coefficients.Based on the electrical properties of several molecules (O2, OH, CO, N2, H2O, and HO2) in various electronic states known from literature and obtained by the authors using quantum chemical calculations, the binary diffusion coefficients on the main components of atmospheric air (N2, O2, H2O, and Ar) were estimated over a wide temperature range.It is shown that the diffusion coefficients of electronically excited molecules can differ significantly from the diffusion coefficients of these molecules in the ground electronic state, especially for high excitation energies, as well as in the case of diffusion of a polar molecule in a polar buffer gas.