Diamondoid ether clusters in helium nanodroplets?
Physical Chemistry Chemical Physics Pub Date: 2023-03-15 DOI: 10.1039/D3CP00489A
Abstract
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.
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Journal Name：Physical Chemistry Chemical Physics
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CAS no.: 89640-58-4
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