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From Local Covalent...
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Ekimova, MariaMax Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
(author)
From Local Covalent Bonding to Extended Electric Field Interactions in Proton Hydration
- Article/chapterEnglish2022
Publisher, publication year, extent ...
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2022-10-25
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Wiley,2022
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printrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:su-211706
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https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-211706URI
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https://doi.org/10.1002/anie.202211066DOI
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-494774URI
Supplementary language notes
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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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.
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Kleine, CarloMax Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
(author)
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Ludwig, JanMax Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
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Ochmann, MiguelCtr Free Electron Laser Sci, Inst Nanostruct & Solid State Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany.
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Agrenius, Thomas E. G.Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.
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Kozari, EveBen Gurion Univ Negev, Dept Chem, POB 653, IL-84105 Beer Sheva, Israel.
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Pines, DinaBen Gurion Univ Negev, Dept Chem, POB 653, IL-84105 Beer Sheva, Israel.
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Pines, EhudBen Gurion Univ Negev, Dept Chem, POB 653, IL-84105 Beer Sheva, Israel.
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Huse, NilsCtr Free Electron Laser Sci, Inst Nanostruct & Solid State Phys, Luruper Chaussee 149, D-22761 Hamburg, Germany.
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Wernet, Philippe,1971-Uppsala universitet,Kemisk och biomolekylär fysik(Swepub:uu)phiwe888
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Odelius, MichaelStockholms universitet,Fysikum,Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, S-10691 Stockholm, Sweden.(Swepub:su)odelius
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Nibbering, Erik T. J.Max Born Inst Nichtlineare Opt & Kurzzeitspektros, Max Born Str 2A, D-12489 Berlin, Germany.
(author)
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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)
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In:Angewandte Chemie International Edition: Wiley61:461433-78511521-3773
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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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Wernet, Philippe ...
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Odelius, Michael
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