| |  Online-Ressource |
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| Verfasst von: | Meyer, Frank [VerfasserIn]  |
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| | Blum, M. [VerfasserIn] |
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| | Benkert, A. [VerfasserIn] |
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| | Hauschild, D. [VerfasserIn] |
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| | Jeyachandran, Yekkoni Lakshmanan [VerfasserIn] |
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| | Wilks, R. G. [VerfasserIn] |
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| | Yang, W. [VerfasserIn] |
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| | Bär, M. [VerfasserIn] |
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| | Reinert, F. [VerfasserIn] |
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| | Heske, C. [VerfasserIn] |
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| | Zharnikov, Michael [VerfasserIn] |
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| | Weinhardt, L. [VerfasserIn] |
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| Titel: | Site-specific electronic structure of imidazole and imidazolium in aqueous solutions |
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| Verf.angabe: | F. Meyer, M. Blum, A. Benkert, D. Hauschild, Y.L. Jeyachandran, R.G. Wilks, W. Yang, M. Bär, F. Reinert, C. Heske, M. Zharnikov, and L. Weinhardt |
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| Jahr: | 2018 |
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| Umfang: | 9 S. |
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| Fussnoten: | Gesehen am 08.04.2020 |
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| Titel Quelle: | Enthalten in: Physical chemistry, chemical physics |
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| Ort Quelle: | Cambridge : RSC Publ., 1999 |
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| Jahr Quelle: | 2018 |
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| Band/Heft Quelle: | 20(2018), 12, Seite 8302-8310 |
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| ISSN Quelle: | 1463-9084 |
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| Abstract: | The occupied and unoccupied electronic structure of imidazole (C3N2H4) and imidazolium (C3N2H5+) in aqueous solutions is studied by X-ray emission spectroscopy (XES) and resonant inelastic soft X-ray scattering (RIXS). Both systems show distinct RIXS fingerprints with strong resonant effects. A comparison with calculated X-ray emission spectra of isolated imidazole and imidazolium suggests only a small influence of hydrogen bonding in the aqueous solution on the electronic structure of imidazole and imidazolium, and allows the attribution of specific spectral features to the non-equivalent nitrogen and carbon atoms in the molecules. In the case of nitrogen, this can also be achieved by site-selective resonant excitation. Furthermore, we find spectator shifts and symmetry selectivity in the RIXS spectra, as well as indications for rapid proton dynamics on the femtosecond timescale of the RIXS process, and derive the HOMO-LUMO gaps for the two molecules in aqueous solution. |
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| DOI: | doi:10.1039/C7CP07885D |
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| URL: | Bitte beachten Sie: Dies ist ein Bibliographieeintrag. Ein Volltextzugriff für Mitglieder der Universität besteht hier nur, falls für die entsprechende Zeitschrift/den entsprechenden Sammelband ein Abonnement besteht oder es sich um einen OpenAccess-Titel handelt.
Volltext ; Verlag: https://doi.org/10.1039/C7CP07885D |
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| | Volltext: https://pubs.rsc.org/en/content/articlelanding/2018/cp/c7cp07885d |
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| | DOI: https://doi.org/10.1039/C7CP07885D |
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| Datenträger: | Online-Ressource |
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| Sprache: | eng |
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| K10plus-PPN: | 1694255530 |
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| Verknüpfungen: | → Zeitschrift |
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Site-specific electronic structure of imidazole and imidazolium in aqueous solutions / Meyer, Frank [VerfasserIn]; 2018 (Online-Ressource)
