@article{fd80e585ef3f4729b539d68ce2e47f17,
title = "Diamondoid ether clusters in helium nanodroplets",
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.",
author = "Jasna Ali{\'c} and Roman Messner and Marija Ale{\v s}kovi{\'c} and Florian K{\"u}stner and Mirta Rub{\v c}i{\'c} and Florian Lackner and Ernst, {Wolfgang E.} and Marina {\v S}ekutor",
note = "Funding Information: We acknowledge financial support from the Croatian Science Foundation (project UIP-2017-05-9653 “Diamondoid scaffolds containing heteroatoms - preparation and application in development of advanced materials”), the Austrian Science Fund (FWF) under grant P30940-N36, the Croatian Ministry of Science and Education and the Austrian Agency for Education and Internationalisation (WTZ project HR 05/2022), and the COST Action CA21101. M. A. thanks the Austrian Academy of Science for financing a short-term research stay at TU Graz through the Joint Excellence in Science and Humanities (JESH) program. The computations were performed using the resources of the computer cluster Isabella based in SRCE - University of Zagreb, University Computing Centre. Funding Information: We acknowledge financial support from the Croatian Science Foundation (project UIP-2017-05-9653 “Diamondoid scaffolds containing heteroatoms – preparation and application in development of advanced materials”), the Austrian Science Fund (FWF) under grant P30940-N36, the Croatian Ministry of Science and Education and the Austrian Agency for Education and Internationalisation (WTZ project HR 05/2022), and the COST Action CA21101. M. A. thanks the Austrian Academy of Science for financing a short-term research stay at TU Graz through the Joint Excellence in Science and Humanities (JESH) program. The computations were performed using the resources of the computer cluster Isabella based in SRCE – University of Zagreb, University Computing Centre. Publisher Copyright: {\textcopyright} 2023 The Royal Society of Chemistry.",
year = "2023",
month = mar,
day = "15",
doi = "10.1039/d3cp00489a",
language = "English",
volume = "25",
pages = "11951--11958",
journal = "Physical Chemistry, Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "17",
}