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Probing hydrogen bonding orbitals: resonant inelastic soft X-ray scattering of aqueous NH3
Stockholm University, Faculty of Science, Department of Physics.
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Number of Authors: 12
2015 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 17, no 40, 27145-27153 p.Article in journal (Refereed) Published
Abstract [en]

To probe the influence of hydrogen bonding on the electronic structure of ammonia, gas phase and aqueous NH3 have been investigated using soft X-ray absorption (XAS), resonant inelastic soft X-ray scattering (RIXS), and electronic structure calculations including dynamical effects. Strong spectral differences in the XAS scans as well as in the RIXS spectra between gas phase and aqueous NH3 are attributed to orbital mixing with the water orbitals, dipole-dipole interactions, differences in vibronic coupling, and nuclear dynamics on the time-scale of the RIXS process. All of these effects are consequences of hydrogen bonding and the impact of the associated orbitals, demonstrating the power of XAS and RIXS as unique tools to study hydrogen bonding in liquids.

Place, publisher, year, edition, pages
2015. Vol. 17, no 40, 27145-27153 p.
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Chemical Sciences Physical Sciences
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URN: urn:nbn:se:su:diva-123206DOI: 10.1039/c5cp04898bISI: 000362679300073OAI: oai:DiVA.org:su-123206DiVA: diva2:872333
Available from: 2015-11-18 Created: 2015-11-18 Last updated: 2015-11-18Bibliographically approved

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Ertan, EmelieOdelius, Michael
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