Nanostructured supramolecular networks from self-assembled diamondoid molecules under ultracold conditions

Alešković, Marija; Küstner, Florian; Messner, Roman; Lackner, Florian; Ernst, Wolfgang E.; Šekutor, Marina (2023) Nanostructured supramolecular networks from self-assembled diamondoid molecules under ultracold conditions. Physical Chemistry Chemical Physics, 25 (27). pp. 17869-17876. ISSN 1463-9076

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Abstract

Diamondoid molecules and their derivatives have attracted attention as fascinating building blocks for advanced functional materials. Depending on the balance between hydrogen bonds versus London dispersion interactions, they can self-organize in different cluster structures with functional groups tailored for various applications. Here we present a new approach to supramolecular aggregation where self-assembly of diamondoid acids and alcohols in the ultracold environment of superfluid helium nanodroplets (HNDs) was analyzed by a combination of time-of-flight mass spectrometry and computational tools. Experimentally observed magic numbers of the assembled cluster sizes were successfully identified and computed cluster structures gave valuable insights into a different conglomeration mode when compared to previously explored less- polar diamondoid derivatives. We have confirmed that functional groups acting as good hydrogen bond donors completely take over the self- organization process, resulting in fascinating pair-wise or cyclic supramolecular assemblies. Particularly noteworthy is that mono- and bis-substituted diamondoid derivatives of both series engage in completely different modes of action, which is reflected in differing non-covalent cluster geometries. Additionally, formed cyclic clusters with a polar cavity in the center and non-polar diamondoid outer layer can be of high interest in porous material design and provide insights into the structural requirements needed to produce bulk material with desired properties.

Item Type:	Article
Uncontrolled Keywords:	supramolecular networks ; diamondoids; He nanodroplets ; hydrogen bonding ; acids ; alcohols ; reverse micelles
Subjects:	NATURAL SCIENCES > Chemistry > Physical Chemistry NATURAL SCIENCES > Chemistry > Theoretical Chemistry NATURAL SCIENCES > Chemistry > Organic Chemistry
Divisions:	Division of Organic Chemistry and Biochemistry
Projects:	Project title Project leader Project code Project type Diamantoidni sustavi s heteroatomima – priprava i primjena u razvoju naprednih materijala-DiamMat Marina Šekutor UIP-2017-05-9653 HRZZ
Depositing User:	Marina Šekutor
Date Deposited:	18 Dec 2025 13:32
URI:	http://fulir.irb.hr/id/eprint/10523
DOI:	10.1039/D3CP02367B

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