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• W3178962146 endingPage "4082" @default.
• W3178962146 startingPage "4082" @default.
• W3178962146 abstract "The interaction of Aun+ (n ≤ 20) clusters with Ar is investigated by combining mass spectrometric experiments and density functional theory calculations. We show that the inert Ar atom forms relatively strong bonds with Aun+. The strength of the bond strongly varies with the cluster size and is governed by a fine interplay between geometry and electronic structure. The chemical bond between Aun+ and Ar involves electron transfer from Ar to Au, and a stronger interaction is found when the Au adsorption site has a higher positive partial charge, which depends on the cluster geometry. Au15+ is a peculiar cluster size, which stands out for its much stronger interaction with Ar than its neighbors, signaled by a higher abundance in mass spectra and a larger Ar adsorption energy. This is shown to be a consequence of a low-coordinated Au adsorption site in Au15+, which possesses a large positive partial charge." @default.
• W3178962146 created "2021-07-19" @default.
• W3178962146 creator A5020755269 @default.
• W3178962146 creator A5046366464 @default.
• W3178962146 date "2021-07-04" @default.
• W3178962146 modified "2023-09-23" @default.
• W3178962146 title "Argon Adsorption on Cationic Gold Clusters Aun+ (n ≤ 20)" @default.
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• W3178962146 doi "https://doi.org/10.3390/molecules26134082" @default.
• W3178962146 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8272223" @default.
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• W3178962146 hasPublicationYear "2021" @default.
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