Virtual Femtosecond X-ray experiments
The recent advent on the existing X-ray Free electorn Laser sources: LCLS in Stanford, CA, SACLA in Japan, FemtoMAX in Sweden, and upcoming sources: SwissFEL in Switzerland, XFEL in Germany - opens up exciting new possibilities for studying photochemical reactions as they unfold on femto- to picosecond time scale. Access to these sources is unfortunately difficult as experiment time is quite limited and so the ability to perform pre-studies in the form of computer simulations becomes very important.
Within the scope of this project we will investigate the simulated scattering signal from a set of "standard" molecules in various electronically excited states in order to evaluate the necessary experimental conditions under which they would be studied in real life. Shown here is an image of the Pt-POP molecule in its ground state and in a photo-excited state, a state in which the molecule becomes highly reactive and e.g. is able to strip H atoms from hydrocarbon molecules
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