The photo-fragmentation of the dimethyl sulfoxide (DMSO) molecule was studied using synchrotron radiation and a magnetic mass spectrometer. The total cationic yield spectrum was recorded in the photon energy region around the sulfur K edge. The sulfur composition of the highest occupied molecular orbital's and lowest unoccupied molecular orbital's in the DMSO molecule has been obtained using both ab initio and density functional theory methods. Partial cation and anion-yield measurements were obtained in the same energy range. An intense resonance is observed at 2475.4 eV. Sulfur atomic ions present a richer structure around this resonant feature, as compared to other fragment ions. The yield curves are similar for most of the other ionic species, which we interpret as due to cascade Auger processes leading to multiply charged species which then undergo Coulomb explosion. The anions S(-), C(-), and O(-) are observed for the first time in deep-core-level excitation of DMSO.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/1.4861050 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Exploring Dynamics and Intermolecular Interactions in Binary Mixtures of Reline and DMSO: An Investigation Using Nuclear Magnetic Resonance and Infrared Spectroscopic Techniques.
J Phys Chem B
January 2025
College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, China.
Reline, which is composed of choline chloride and urea in a molar ratio of 1:2, is the first and most extensively studied deep eutectic solvent (DES). In certain applications, reline is blended with organic solvents, dimethyl sulfoxide (DMSO) in most cases, to gain improved properties. Therefore, it is crucial to have a profound understanding of the impact of DMSO on the dynamics and structures of the species in the binary mixtures.
View Article and Find Full Text PDFElaborating H-bonding effect and excited state intramolecular proton transfer of 2-(2-hydroxyphenyl)benzothiazole based D-π-A fluorescent dye.
Phys Chem Chem Phys
January 2025
Key Laboratory of Soft Chemistry and Functional Materials of MOE, School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China.
2-(2-Hydroxyphenyl)benzothiazole (HBT) derivatives with donor-π-acceptor (D-π-A) structure have received extensive attention as a class of excited state intramolecular proton transfer (ESIPT) compounds in the fields of biochemistry and photochemistry. The effects of electron-donors (triphenylamine and anthracenyl), the position of substituents and solvent polarity on the fluorescence properties and ESIPT mechanisms of HBT derivatives were investigated through time-dependent density functional theory (TDDFT) calculations. Potential energy curves (PECs) and frontier molecular orbitals (FMOs) reveal that the introduction of the triphenylamine group on the benzene ring enhances intramolecular HB, thereby benefiting the ESIPT process.
View Article and Find Full Text PDFStudy of physiochemical properties of trisubstituted pyrazole derivatives using polar aprotic solvents.
Sci Rep
January 2025
Markanda National College, District-Kurukshetra, Shahabad (M), 136135, Haryana, India.
Pyrazole derivatives are aromatic heterocyclic compounds endowed with multifaceted applications. In the present study 1,3,4-trisubstituted pyrazoles derivatives have been synthesized for the purpose of studying their physical properties and their characterization was done by FTIR, H NMR and C NMR spectroscopic technique. The measurement of densities (ρ) and viscosities (η) of solutions of substituted pyrazole derivative in polar aprotic solvent i.
View Article and Find Full Text PDFInvestigation of the preventive effect of methylsulfonylmethane on alveolar bone loss and oxidative stress in a rat model of periodontitis.
BMC Oral Health
January 2025
Department of Histology and Embryology, Faculty of Medicine, Ondokuz Mayıs University, Samsun, Turkey.
Background: To investigate the preventive efficacy of methylsulfonylmethane (MSM) on alveolar bone destruction in rats with periodontitis.
Methods: Twenty-four male Sprague-Dawley rats were randomly divided into three groups: control, experimental periodontitis (Ep), and Ep-MSM. Periodontitis was induced by placing 4.
Mitigation of Self-p-Doping and Off-Centering Effect in Tin Perovskite via Strontium Doping.
ACS Energy Lett
January 2025
Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner Platz 1, 14109 Berlin, Germany.
Tin-based perovskite solar cells offer a less toxic alternative to their lead-based counterparts. Despite their promising optoelectronic properties, their performances still lag behind, with the highest power conversion efficiencies reaching around 15%. This efficiency limitation arises primarily from electronic defects leading to self-p-doping and stereochemical activity of the Sn(II) ion, which distorts the atomic arrangement in the material.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!