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

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

Schreck, Simon (author): Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany.;Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany.;AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden.

Pietzsch, Annette (author): Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany.

Kennedy, Brian (author): Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany.

Såthe, Conny (author): Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory,Max IV Lab, Box 118, S-22100 Lund, Sweden.;Max IV Lab, Box 118, S-22100 Lund, Sweden.

Miedema, Piter S (author)

Techert, Simone (author): DESY, FS Struct Dynam Bio Chem, Notkestr 85, D-22607 Hamburg, Germany.;Max Planck Inst Biophys Chem, Fassberg 11, D-37077 Gottingen, Germany.;Univ Gottingen, Inst Xray Phys, D-37077 Gottingen, Germany.

Strocov, Vladimir N (author): Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland.

Schmitt, Thorsten (author): Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland.

Hennies, Franz (author): Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory,Max IV Lab, Box 118, S-22100 Lund, Sweden.;Max IV Lab, Box 118, S-22100 Lund, Sweden.

Rubensson, Jan-Erik (author): Uppsala universitet,Molekyl- och kondenserade materiens fysik

Föhlisch, Alexander (author): Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany.;Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany.

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Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany;Univ Potsdam, Inst Phys & Astron, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany.;AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden. Helmholtz Zentrum Berlin Mat & Energie GmbH, Inst Methods & Instrumentat Synchrotron Radiat Re, Albert Einstein Str 15, D-12489 Berlin, Germany. (creator_code:org_t)

2016-01-29
2016
English.
In: Scientific Reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 6

Related links:: http://dx.doi.org/10... (free); show more...; https://www.nature.c...; https://lup.lub.lu.s...; https://doi.org/10.1...; https://urn.kb.se/re...; show less...

Journal article (peer-reviewed)

Abstract Subject headings

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 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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By the author/editor: Schreck, Simon; Pietzsch, Annett ...; Kennedy, Brian; Såthe, Conny; Miedema, Piter S; Techert, Simone; show more...; Strocov, Vladimi ...; Schmitt, Thorste ...; Hennies, Franz; Rubensson, Jan-E ...; Föhlisch, Alexan ...; show less...

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NATURAL SCIENCES: NATURAL SCIENCES; and Chemical Science ...; and Physical Chemist ...

NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Condensed Matter ...

Articles in the publication: Scientific Repor ...

By the university: Lund University; Uppsala University

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

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