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The principles of i...
The principles of infrared-x-ray pump-probe spectroscopy. Applications on proton transfer in core-ionized water dimers
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- Felicissimo, Viviane C. (författare)
- KTH,Teoretisk kemi
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- Guimaraes, Freddy Fernandes (författare)
- KTH,Teoretisk kemi
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- Gel'mukhanov, Faris (författare)
- KTH,Teoretisk kemi
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Cesar, A. (författare)
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- Ågren, Hans (författare)
- KTH,Teoretisk kemi
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(creator_code:org_t)
- American Institute of Physics (AIP), 2005
- 2005
- Engelska.
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Ingår i: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 122:9
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- In this paper we derive the basic physics underlying infrared-x-ray pump-probe spectroscopy (IR, infrared). 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 out 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.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- Dimers
- Ionization
- Nuclear energy
- Protons
- Quantum theory
- Watersheds
- Physics
- Fysik
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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