Artykuł w czasopiśmie
Brak miniatury
Licencja
Dostęp zamkniętyVibrational spectrum of HXeSH revisited: Combined computational and experimental study
| dc.abstract.en | 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 methodes shows once again that the modelling of the noble-gas compounds faces theoretical challenges to yield quantitatively reliable results. |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Cukras, Janusz |
| dc.contributor.author | Lundell, Jan |
| dc.contributor.author | Ahokas, Jussi M.E. |
| dc.date.accessioned | 2024-01-26T11:47:22Z |
| dc.date.available | 2024-01-26T11:47:22Z |
| dc.date.issued | 2020 |
| dc.description.finance | Publikacja bezkosztowa |
| dc.description.volume | 741 |
| dc.identifier.doi | 10.1016/J.CPLETT.2019.137083 |
| dc.identifier.issn | 0009-2614 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/124624 |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.relation.ispartof | Chemical Physics Letters |
| dc.relation.pages | 137083 |
| dc.rights | ClosedAccess |
| dc.sciencecloud | nosend |
| dc.subject.en | Xenon |
| dc.subject.en | Noble gas |
| dc.subject.en | Hydride |
| dc.subject.en | Computational chemistry |
| dc.subject.en | Anharmonicity |
| dc.subject.en | Infrared spectrum |
| dc.subject.en | Vibrational spectroscopy |
| dc.subject.en | Matrix isolation |
| dc.title | Vibrational spectrum of HXeSH revisited: Combined computational and experimental study |
| dc.type | JournalArticle |
| dspace.entity.type | Publication |