Issue 17, 2023

Diamondoid ether clusters in helium nanodroplets


Diamondoid ethers were introduced into superfluid helium nanodroplets and the resulting clusters were analyzed by time-of-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.

Graphical abstract: Diamondoid ether clusters in helium nanodroplets

Supplementary files

Article information

Article type
30 Jan 2023
14 Mar 2023
First published
15 Mar 2023
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2023,25, 11951-11958

Diamondoid ether clusters in helium nanodroplets

J. Alić, R. Messner, M. Alešković, F. Küstner, M. Rubčić, F. Lackner, W. E. Ernst and M. Šekutor, Phys. Chem. Chem. Phys., 2023, 25, 11951 DOI: 10.1039/D3CP00489A

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