Naslov
Diamondoid ether clusters in helium nanodroplets

Autori
Alić, Jasna ; Messner, Roman ; Alešković, Marija ; Küstner, Florian ; Rubčić, Mirta ; Lackner, Florian ; Wolfgang, E. Ernest ; Šekutor, Marina

Izvornik
PCCP. Physical chemistry chemical physics (1463-9076) 25 (2023); 11951-11958

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Diamondoids ; He nanodroplets ; London dispersion ; Ethers ; Computational chemistry

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA