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Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering
Local probes of the electronic ground state are essential for understanding hydrogen bonding in aqueous environments. When tuned to the dissociative core-excited state at the O1s pre-edge of water, resonant inelastic X-ray scattering back to the electronic ground state exhibits a long vibrational pr...
Autores principales: | , , , , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6399250/ https://www.ncbi.nlm.nih.gov/pubmed/30833573 http://dx.doi.org/10.1038/s41467-019-08979-4 |
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author | Vaz da Cruz, Vinícius Gel’mukhanov, Faris Eckert, Sebastian Iannuzzi, Marcella Ertan, Emelie Pietzsch, Annette Couto, Rafael C. Niskanen, Johannes Fondell, Mattis Dantz, Marcus Schmitt, Thorsten Lu, Xingye McNally, Daniel Jay, Raphael M. Kimberg, Victor Föhlisch, Alexander Odelius, Michael |
author_facet | Vaz da Cruz, Vinícius Gel’mukhanov, Faris Eckert, Sebastian Iannuzzi, Marcella Ertan, Emelie Pietzsch, Annette Couto, Rafael C. Niskanen, Johannes Fondell, Mattis Dantz, Marcus Schmitt, Thorsten Lu, Xingye McNally, Daniel Jay, Raphael M. Kimberg, Victor Föhlisch, Alexander Odelius, Michael |
author_sort | Vaz da Cruz, Vinícius |
collection | PubMed |
description | Local probes of the electronic ground state are essential for understanding hydrogen bonding in aqueous environments. When tuned to the dissociative core-excited state at the O1s pre-edge of water, resonant inelastic X-ray scattering back to the electronic ground state exhibits a long vibrational progression due to ultrafast nuclear dynamics. We show how the coherent evolution of the OH bonds around the core-excited oxygen provides access to high vibrational levels in liquid water. The OH bonds stretch into the long-range part of the potential energy curve, which makes the X-ray probe more sensitive than infra-red spectroscopy to the local environment. We exploit this property to effectively probe hydrogen bond strength via the distribution of intramolecular OH potentials derived from measurements. In contrast, the dynamical splitting in the spectral feature of the lowest valence-excited state arises from the short-range part of the OH potential curve and is rather insensitive to hydrogen bonding. |
format | Online Article Text |
id | pubmed-6399250 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-63992502019-03-06 Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering Vaz da Cruz, Vinícius Gel’mukhanov, Faris Eckert, Sebastian Iannuzzi, Marcella Ertan, Emelie Pietzsch, Annette Couto, Rafael C. Niskanen, Johannes Fondell, Mattis Dantz, Marcus Schmitt, Thorsten Lu, Xingye McNally, Daniel Jay, Raphael M. Kimberg, Victor Föhlisch, Alexander Odelius, Michael Nat Commun Article Local probes of the electronic ground state are essential for understanding hydrogen bonding in aqueous environments. When tuned to the dissociative core-excited state at the O1s pre-edge of water, resonant inelastic X-ray scattering back to the electronic ground state exhibits a long vibrational progression due to ultrafast nuclear dynamics. We show how the coherent evolution of the OH bonds around the core-excited oxygen provides access to high vibrational levels in liquid water. The OH bonds stretch into the long-range part of the potential energy curve, which makes the X-ray probe more sensitive than infra-red spectroscopy to the local environment. We exploit this property to effectively probe hydrogen bond strength via the distribution of intramolecular OH potentials derived from measurements. In contrast, the dynamical splitting in the spectral feature of the lowest valence-excited state arises from the short-range part of the OH potential curve and is rather insensitive to hydrogen bonding. Nature Publishing Group UK 2019-03-04 /pmc/articles/PMC6399250/ /pubmed/30833573 http://dx.doi.org/10.1038/s41467-019-08979-4 Text en © The Author(s) 2019 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Vaz da Cruz, Vinícius Gel’mukhanov, Faris Eckert, Sebastian Iannuzzi, Marcella Ertan, Emelie Pietzsch, Annette Couto, Rafael C. Niskanen, Johannes Fondell, Mattis Dantz, Marcus Schmitt, Thorsten Lu, Xingye McNally, Daniel Jay, Raphael M. Kimberg, Victor Föhlisch, Alexander Odelius, Michael Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering |
title | Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering |
title_full | Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering |
title_fullStr | Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering |
title_full_unstemmed | Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering |
title_short | Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering |
title_sort | probing hydrogen bond strength in liquid water by resonant inelastic x-ray scattering |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6399250/ https://www.ncbi.nlm.nih.gov/pubmed/30833573 http://dx.doi.org/10.1038/s41467-019-08979-4 |
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