Study of vibronic coupling in electronic resonances through 2D EELS

Our comprehension of nuclear dynamics in electron-molecule collision complexes (electronic resonances) does not go beyond diatomic systems. This is especially true for energies close to dissociation and electron detachment thresholds where non-local effects set in. At the same time, electron collisions with polyatomic molecules play an important role in technologies, emergence of prebiotic molecules in space, or in radiation damage. In a joint theoretical and experimental study of a sequence of molecules with increasing complexity, we will introduce a methodology for modeling and analyzing of the electron energy loss spectra (EELS) for polyatomic molecules. Study will be based on ab initio electronic structure and scattering calculations using state-of-the-art R-matrix codes and newly developed numerical codes for multidimensional vibronic dynamics. Predicted spectra will be directly verified experimentally. We plan to collect spectra identifying typical features and mechanisms, thus establishing EEL spectroscopy as a tool for understanding dynamics of electron-induced reactions.