{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Kollotzek S"],"funding":["Austrian Science Fund FWF","Ministerio de Ciencia e Innovación"],"pagination":["462-470"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9768848"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["25(1)"],"pubmed_abstract":["We report a novel method to reversibly attach and detach hydrogen molecules to positively charged sodium clusters formed inside a helium nanodroplet host matrix. It is based on the controlled production of multiply charged helium droplets which, after picking up sodium atoms and exposure to H<sub>2</sub> vapor, lead to the formation of Na<sub><i>m</i></sub><sup>+</sup>(H<sub>2</sub>)<sub><i>n</i></sub> clusters, whose population was accurately measured using a time-of-flight mass spectrometer. The mass spectra reveal particularly favorable Na<sup>+</sup>(H<sub>2</sub>)<sub><i>n</i></sub> and Na<sub>2</sub><sup>+</sup>(H<sub>2</sub>)<sub><i>n</i></sub> clusters for specific \"magic\" numbers of attached hydrogen molecules. The energies and structures of these clusters have been investigated by means of quantum-mechanical calculations employing analytical interaction potentials based on <i>ab initio</i> electronic structure calculations. A good agreement is found between the experimental and the theoretical magic numbers."],"journal":["Physical chemistry chemical physics : PCCP"],"pubmed_title":["Helium nanodroplets as an efficient tool to investigate hydrogen attachment to alkali cations."],"pmcid":["PMC9768848"],"funding_grant_id":["P31149","FIS2016-79596-P, PID2019-105225GB-I00","PID2020-114654GB-I00/AEI/10.13039/501100011033","P 31149","W1259-N27","PID2020-114957GB- I00/AEI/10.13039/501100011033"],"pubmed_authors":["Scheier P","Campos-Martinez J","Tiefenthaler L","Kollotzek S","Bartolomei M","Breton J","Zunzunegui-Bru E","Hernandez MI","Hernandez-Rojas J","Pirani F","Gonzalez-Lezana T","Echt O","Lazaro T"],"additional_accession":[]},"is_claimable":false,"name":"Helium nanodroplets as an efficient tool to investigate hydrogen attachment to alkali cations.","description":"We report a novel method to reversibly attach and detach hydrogen molecules to positively charged sodium clusters formed inside a helium nanodroplet host matrix. It is based on the controlled production of multiply charged helium droplets which, after picking up sodium atoms and exposure to H<sub>2</sub> vapor, lead to the formation of Na<sub><i>m</i></sub><sup>+</sup>(H<sub>2</sub>)<sub><i>n</i></sub> clusters, whose population was accurately measured using a time-of-flight mass spectrometer. The mass spectra reveal particularly favorable Na<sup>+</sup>(H<sub>2</sub>)<sub><i>n</i></sub> and Na<sub>2</sub><sup>+</sup>(H<sub>2</sub>)<sub><i>n</i></sub> clusters for specific \"magic\" numbers of attached hydrogen molecules. The energies and structures of these clusters have been investigated by means of quantum-mechanical calculations employing analytical interaction potentials based on <i>ab initio</i> electronic structure calculations. A good agreement is found between the experimental and the theoretical magic numbers.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Dec","modification":"2024-11-20T06:39:28.439Z","creation":"2024-11-20T06:39:28.439Z"},"accession":"S-EPMC9768848","cross_references":{"pubmed":["36477158"],"doi":["10.1039/d2cp03841b"]}}