Molecular dynamics induced by short and intense x-ray pulses from the LCLS

Abstract

The past six years have led to a wealth of experimental and theoretical data revealing the nature of the interaction between gas-phase molecules and short and intense x-ray pulses, from the Linac coherent light source free electron laser (FEL). We present here a few highlights that describe some of the first photoabsorption measurements of gas-phase molecules. In particular, we report on a three decades long prediction of single-site double core holes (ss-DCH) and two-site double core holes (ts-DCH) in diatomic and triatomic molecules. We also describe recent measurements that validate a simple theory regarding femtosecond intense x-ray induced fragmentation dynamics of C60 as well as photoabsorption measurements of encapsulated fullerenes, Ho3N@C80. The latter investigation opens the way for even more complex molecular studies with FELs. In all of the described highlights, working in close collaboration with theorists enabled the interpretation of, or predicted our measurements, and in some cases our experiments guided the modeling. We conclude this article by describing the potential of new instrumentation for chemical and biological sciences especially in light of new or improved FELs.