The principles of IR - X-ray pump-probe spectroscopy.
Applications on proton transfer in core ionized water dimers.
|Title||The principles of IR - X-ray pump-probe spectroscopy.
Applications on proton transfer in core ionized water dimers.|
|Authors||V. C. Felicissimo, F. F. Guimaraes, F. Gel'mukhanov, A. Cesar and H. Ågren|
|Citation||J. Chem. Phys. 122, 094319|
|Field||X-ray Chemistry and Physics|
|Section||X-Ray Raman Scattering|
|Sub-section||Wave Packet Dynamics, Doppler, Laser|
|Keywords||IR - X-ray pump-probe spectroscopy, wave Packets and water dimer|
|Abstract||In this article we derive the basic physics underlying infrared - X-ray pump-probe spectroscopy. Particular features of the spectroscopy
are highlighted and discussed, such as dependence on phase of the infrared pulse, duration and delay time of the X-ray pulse, and molecular orientation. Numerical applications are carried for the water dimer using wave packet techniques. It is shown that core-ionization of the donor oxygen of the water dimer results in
a drastic change of the potential with the global minimum placed
in the proton transfer region. The results of the modeling
indicate that IR - X-ray pump-probe spectroscopy can be used to
study the dynamics of proton transfer in this core ionized state,
and that, contrary to conventional core level photoelectron spectroscopy, X-ray core ionization driven by an IR field is a proper method to explore the proton transfer in a system like the water dimer. We observe that the trajectory of the nuclear wave packet in the ground state potential well is strongly affected by the absolute phase of the IR pulse.|
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