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

Scientific Reports
Simon SchreckAlexander Föhlisch

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 O2 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 multidimensio...Continue Reading

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Citations

Apr 25, 2017·The Journal of Physical Chemistry Letters·Daniela SchönEmad F Aziz
Mar 30, 2017·Physical Chemistry Chemical Physics : PCCP·Vinícius Vaz da CruzVictor Kimberg
May 18, 2018·Physical Chemistry Chemical Physics : PCCP·Emelie ErtanVictor Kimberg
Dec 24, 2019·Journal of Synchrotron Radiation·Christian SchulzKlaus Habicht
Sep 21, 2019·Physical Chemistry Chemical Physics : PCCP·P S MiedemaM Beye
Sep 3, 2020·The Journal of Chemical Physics·Maximiliano Inafuku, Ernesto Marceca
Oct 27, 2020·Physical Chemistry Chemical Physics : PCCP·Vinícius Vaz da CruzAlexander Föhlisch
Jun 24, 2019·The Journal of Chemical Physics·Vinícius Vaz da CruzVictor Kimberg
Aug 7, 2019·Physical Review Letters·Matteo RossiGiacomo Ghiringhelli
Nov 29, 2017·Physical Chemistry Chemical Physics : PCCP·Sebastian EckertAlexander Föhlisch
Oct 6, 2017·The Journal of Physical Chemistry Letters·Daniela SchönJie Xiao

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Methods Mentioned

BETA
x-ray spectroscopy
x-ray scattering
Raman scattering

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