Peter Vester

TL;DR: Combined X-ray free-electron laser techniques pinpoints loci of intersections between potential energy surfaces of a photo-excited 3d transition-metal centered molecule.

TL;DR: In this paper, the authors investigated photoinduced electron transfer dynamics following a metal-to-ligand charge-transfer (MLCT) excitation of the [Fe(bmip)2]2+ photosensitizer, where bmip = 2,6-bis(3-methyl-imidazole-1- ylidine)-pyridine, with simultaneous femtosecond-resolution Fe K{\alpha} and K\b{eta} X-ray Emission Spectroscopy (XES) and Wide Angle Xray Scattering (

TL;DR: These results are compared with multiscale Born-Oppenheimer molecular dynamics simulations and demonstrate how off-resonance excitation can be used to prepare a vibrationally cold excited-state population complemented by a structure-dependent depletion of the ground- state population which subsequently evolves in time, allowing direct tracking of ground-state structural dynamics.

TL;DR: The robust characterization of the dynamics and optical spectral signatures of the isolated 3MC intermediate provides a strong foundation for identifying 3MC intermediates in the electronic excited state relaxation mechanisms of similar Fe-centered systems being developed for solar applications.

TL;DR: A sub-ps x-ray spectroscopy study of a FeIINHC complex allowing us to identify and quantify the states involved in the deactivation cascade after light absorption, finding that excited molecules relax back to the ground state populating first the 3MLCT and then along two pathways the 3MC state.