Ultrafast isomerization reactions underpin a wide range of processes in (bio)chemical systems and molecular materials. Understanding the coupled evolution of atomic and molecular structure during such reactions is a key step toward control and rational design in molecular science. Time-resolved X-ray spectroscopy provides important new insight due to its element specificity and sensitivity to the local chemical bonding environment. Here we present time-resolved soft and tender X-ray spectroscopy studies of the isomerization dynamics of a transition-metal complex from the complementary perspectives of the central metal atom and from the functional ligand. These results elucidate the relative roles of transient charge-transfer and metal-centered states in mediating photoisomerization. These results further represent an early example of the new class of molecular dynamics studies that are now enabled by X-ray free-electron lasers (XFELs). This talk will present some of the new capabilities and instrumentation that are being planned ultrafast chemical sciences as part of the upgrade of the Linac Coherent Light Source XFEL (LCLS-II).

Element-specific view of molecular dynamics and future opportunities for ultrafast chemical science at X-ray FELs

256th National Meeting (2018)

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