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  Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering.

Schreck, S., Pietzsch, A., Kennedy, B., Sathe, C., Miedema, P. S., Techert, S., et al. (2016). Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering. Scientific Reports, 6: 20054. doi:10.1038/srep20054.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-AF87-B Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002E-2E9E-4
Genre: Journal Article

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http://www.nature.com/articles/srep20054.pdf (Publisher version)
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 Creators:
Schreck, S., Author
Pietzsch, A., Author
Kennedy, B., Author
Sathe, C., Author
Miedema, P. S., Author
Techert, S.1, Author              
Strocov, V. N., Author
Schmitt, T., Author
Hennies, F., Author
Rubensson, J. E., Author
Föhlisch, A., Author
Affiliations:
1Research Group of Structural Dynamics of (Bio)Chemical Systems, MPI for biophysical chemistry, Max Planck Society, ou_578564              

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 Abstract: Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O-2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

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Language(s): eng - English
 Dates: 2016-01-29
 Publication Status: Published online
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 Rev. Method: Peer
 Identifiers: DOI: 10.1038/srep20054
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Title: Scientific Reports
Source Genre: Journal
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Pages: 7 Volume / Issue: 6 Sequence Number: 20054 Start / End Page: - Identifier: -