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From Local Covalent...
From Local Covalent Bonding to Extended Electric Field Interactions in Proton Hydration
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- Ekimova, Maria (author)
- Max Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
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- Kleine, Carlo (author)
- Max Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
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- Ludwig, Jan (author)
- Max Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
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- Ochmann, Miguel (author)
- Ctr Free Electron Laser Sci, Inst Nanostruct & Solid State Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany.
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- Agrenius, Thomas E. G. (author)
- Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.
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- Kozari, Eve (author)
- Ben Gurion Univ Negev, Dept Chem, POB 653, IL-84105 Beer Sheva, Israel.
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- Pines, Dina (author)
- Ben Gurion Univ Negev, Dept Chem, POB 653, IL-84105 Beer Sheva, Israel.
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- Pines, Ehud (author)
- Ben Gurion Univ Negev, Dept Chem, POB 653, IL-84105 Beer Sheva, Israel.
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- Huse, Nils (author)
- Ctr Free Electron Laser Sci, Inst Nanostruct & Solid State Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany.
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- Wernet, Philippe, 1971- (author)
- Uppsala universitet,Kemisk och biomolekylär fysik
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- Odelius, Michael (author)
- Stockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.
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- Nibbering, Erik T. J. (author)
- Max Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
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Max Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany Ctr Free Electron Laser Sci, Inst Nanostruct & Solid State Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany. (creator_code:org_t)
- 2022-10-25
- 2022
- English.
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In: Angewandte Chemie International Edition. - : Wiley. - 1433-7851 .- 1521-3773. ; 61:46
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Abstract
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- Seemingly simple yet surprisingly difficult to probe, excess protons in water constitute complex quantum objects with strong interactions with the extended and dynamically changing hydrogen-bonding network of the liquid. Proton hydration plays pivotal roles in energy transport in hydrogen fuel cells and signal transduction in transmembrane proteins. While geometries and stoichiometry have been widely addressed in both experiment and theory, the electronic structure of these specific hydrated proton complexes has remained elusive. Here we show, layer by layer, how utilizing novel flatjet technology for accurate x-ray spectroscopic measurements and combining infrared spectral analysis and calculations, we find orbital-specific markers that distinguish two main electronic-structure effects: Local orbital interactions determine covalent bonding between the proton and neigbouring water molecules, while orbital-energy shifts measure the strength of the extended electric field of the proton. © 2022 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
Keyword
- Eigen Cation
- Electronic Structure
- Hydrated Proton
- Soft X-Ray Absorption Spectroscopy
- Zundel Cation
- Complex networks
- Electric fields
- Fuel cells
- Hydration
- Hydrogen bonds
- Molecules
- Positive ions
- Signal transduction
- Spectroscopic analysis
- Spectrum analysis
- Covalent bonding
- Electronic.structure
- Field interactions
- Hydrated protons
- Simple+
- Soft-X-ray absorption
- X-ray absorption spectroscopy
- X ray absorption spectroscopy
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Ekimova, Maria
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Kleine, Carlo
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Ludwig, Jan
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Ochmann, Miguel
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Agrenius, Thomas ...
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Kozari, Eve
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Pines, Dina
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Pines, Ehud
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Huse, Nils
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Wernet, Philippe ...
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Odelius, Michael
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Nibbering, Erik ...
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- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Theoretical Chem ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
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and Condensed Matter ...
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Physical Chemist ...
- Articles in the publication
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Angewandte Chemi ...
- By the university
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Stockholm University
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Uppsala University