Local and Symmetry-Resolved Electronic Structure of Liquid Dimethyl Sulfoxide from Resonant Inelastic Soft X-ray Scattering
Source abstract
Abstract
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 2,3, 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.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advanced NMR Techniques and Applications · X-ray Spectroscopy and Fluorescence Analysis · Crystallography and Radiation Phenomena
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Institute for Photon Science and Synchrotron Radiation (IPS), Karlsruhe Institute of Technology (KIT), Kaiserstrasse 12, 76131 Karlsruhe, Germany
Institute for Chemical Technology and Polymer Chemistry (ITCP), Karlsruhe Institute of Technology (KIT), Kaiserstraasse 12, 76131 Karlsruhe, Germany
Department of Chemistry and Biochemistry, University of Nevada, Las Vegas (UNLV), 4505 Maryland Parkway, Las Vegas, Nevada 89154, United States
Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, United States
Funding
Lawrence Berkeley National Laboratory
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