Alić, Jasna; Messner, Roman; Alešković, Marija; Küstner, Florian; Rubči, Mirta; Lackner, Florian; Ernst, Wolfgang E.; Šekutor, Marina (2023) Diamondoid ether clusters in helium nanodroplets. Physical Chemistry Chemical Physics, 25 (17). pp. 11951-11958. ISSN 1463-9076
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Abstract
Diamondoid ethers were introduced into superfluid helium nanodroplets and the resulting clusters were analyzed by timeof-flight mass spectrometry. Clusters of higher abundances (magic number clusters) were identified and the corresponding potential cluster geometries were obtained from GFN2-xTB and DFT computations. We found that the studied diamondoid ethers readily self-assemble in helium nanodroplets and that London dispersion attraction between hydrocarbon subunits acts as a driving force for cluster formation. On the other hand, hydrogen bonding between ether oxygens and trace water molecules fosters the eventual breakdown of the initial supramolecular aggregate.
| Item Type: | Article | ||||||||
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| Uncontrolled Keywords: | Diamondoids ; He nanodroplets ; London dispersion ; Ethers ; Computational chemistry | ||||||||
| Subjects: | NATURAL SCIENCES > Chemistry > Physical Chemistry NATURAL SCIENCES > Chemistry > Theoretical Chemistry NATURAL SCIENCES > Chemistry > Organic Chemistry |
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| Divisions: | Division of Organic Chemistry and Biochemistry | ||||||||
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| Depositing User: | Marina Šekutor | ||||||||
| Date Deposited: | 18 Dec 2025 13:35 | ||||||||
| URI: | http://fulir.irb.hr/id/eprint/10524 | ||||||||
| DOI: | 10.1039/D3CP00489A |
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