Local and Symmetry-Resolved Electronic Structure of Liquid Dimethyl Sulfoxide from Resonant Inelastic Soft X-ray Scattering
Dimethyl sulfoxide (DMSO) is an important polar solvent that derives its unique properties from the lone pair and the strong polar bond at the sulfinyl functional group. To derive the local and symmetry-resolved electronic structure of liquid DMSO, we have used resonant inelastic soft X-ray scattering (RIXS) maps at the S L<sub>2,3</sub>, C K, and O K edges. The experimental data are compared to calculations of spectra based on density functional theory, which allows a detailed analysis of the molecular orbitals throughout the molecule. In the RIXS maps, we find the signature of molecular-field splitting of the S 2p core levels, vibronic coupling, and ultrafast nuclear dynamics on the time scale of the RIXS process.
Authors
- Clemens Heske (ORCID: https://orcid.org/0000-0001-7586-4549)
- L. Weinhardt (ORCID: https://orcid.org/0000-0003-3361-1054)
- Constantin Wansorra (ORCID: https://orcid.org/0000-0002-7120-8322)
- Wanli Yang (ORCID: https://orcid.org/0000-0003-0666-8063)
- Dirk Hauschild (ORCID: https://orcid.org/0000-0001-9088-8944)
- Ralph Steininger (ORCID: https://orcid.org/0000-0002-0170-3109)
Institutions
- Karlsruhe Institute of Technology (DE)
- University of Nevada, Las Vegas (US)
- Lawrence Berkeley National Laboratory (US)
Publication Details
- Journal
- The Journal of Physical Chemistry Letters
- Published
- 2024-10-14
- DOI
- https://doi.org/10.1021/acs.jpclett.4c02329
- Citations
- 1
- Primary Topic
- Advanced NMR Techniques and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.24
Funders
- Lawrence Berkeley National Laboratory