Soft X-rays for Chemical Dynamics and Structure
Rebecca A. Ingle
University College London, UK
[email protected]
One of the key challenges in spectroscopy is mapping experimental observables to underlying changes in the electronic or nuclear structure of a molecule. This problem is further amplified when dealing with larger, polyatomic systems that have multiple, overlapping signatures that result in highly congested spectra that are challenging to deconvolute and interpret. By using X-ray techniques that probe processes involving localised, element-specific core orbitals, it is possible to overcome some of these challenges. In this talk, I will look at how combining methods such as soft X-ray absorption, photoemission and Auger spectroscopy with high-level quantum chemical calculations can be used to interrogate the electronic structure and chemical dynamics of molecular systems.
University College London, UK
[email protected]
One of the key challenges in spectroscopy is mapping experimental observables to underlying changes in the electronic or nuclear structure of a molecule. This problem is further amplified when dealing with larger, polyatomic systems that have multiple, overlapping signatures that result in highly congested spectra that are challenging to deconvolute and interpret. By using X-ray techniques that probe processes involving localised, element-specific core orbitals, it is possible to overcome some of these challenges. In this talk, I will look at how combining methods such as soft X-ray absorption, photoemission and Auger spectroscopy with high-level quantum chemical calculations can be used to interrogate the electronic structure and chemical dynamics of molecular systems.
