Search results for "jalokaasut"
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Complexes of HXeY with HX (Y, X = F, Cl, Br, I) : Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis
2023
A comprehensive analysis of the intermolecular interaction energy and anharmonic vibrations of 41 structures of the HXeY· · · HX (X, Y = F, Cl, Br, I) family of noble-gas-compound complexes for all possible combinations of Y and X was conducted. New structures were identified, and their interaction energies were studied by means of symmetry-adapted perturbation theory, up to secondorder corrections: this provided insight into the physical nature of the interaction in the complexes. The energy components were discussed, in connection to anharmonic frequency analysis. The results show that the induction and dispersion corrections were the main driving forces of the interaction, and that their…
Gas-phase chemistry, recoil source characterization and in-gas-cell resonance laser ionization of actinides at IGISOL
2018
The underlying theme of this thesis focuses on buffer gas purification and relevant gas-phase ion chemistry which critically affects ion beam purity at gas cell-based radioactive ion beam facilities. The achievement of attaining a sub- parts-per-billion level of impurity at the IGISOL facility has enabled subsequent gas cell developments for production of the actinide elements, plutonium and thorium, required for a program of high-resolution optical spectroscopy. Firstly, the construction and characterization of the new IGISOL buffer gas purification system is presented. Off-line ion beam production of plutonium and thorium using in-gas-cell laser resonance ionization combined with filament dispen…
Vibrational Spectrum of HXeSH revisited : Combined computational and experimental study
2020
Vibrational spectrum of HXeSH embedded in low-temperature matrix is experimentally studied. To support the spectrum interpretation, anharmonic vibrational analysis is performed using different models and basis sets and the data is compared with previous experimental and theoretical analyses. Computations of overtones and combination modes allowed for new band assignments. The HXeSH molecule exhibits high anharmonicity similarly as other molecules from the noble-gas hydride family. Comparison of the employed computational methods shows once again that the modelling of the noble-gas compounds faces theoretical challenges to yield quantitatively reliable results. peerReviewed