London dispersion dominating diamantane packing in helium nanodroplets

Alić, Jasna; Messner, Roman; Lackner, Florian; Ernst, E. Wolfgang; Šekutor, Marina (2021) London dispersion dominating diamantane packing in helium nanodroplets. PCCP. Physical chemistry chemical physics, 23 . pp. 21833-21839. ISSN 1463-9076

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Abstract

Diamantane clusters formed inside superfluid helium nanodroplets were analyzed by time-of- flight mass spectrometry. Distinct cluster sizes were identified as “magic numbers” and the corresponding feasible structures for clusters consisting of up to 19 diamantane molecules were derived from meta-dynamics simulations and subsequent DFT computations. The obtained interaction energies were attributed to London dispersion attraction. Our findings demonstrate that diamantane units readily form assemblies even at low pressures and near-zero Kelvin temperatures, confirming the importance of the intermolecular dispersion effect for condensation of matter.

Item Type:	Article
Uncontrolled Keywords:	Diamondoids ; Helium Nanodroplets ; London Dispersion ; Diamantane ; Computation
Subjects:	NATURAL SCIENCES > 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 Šekutor, Marina UIP-2017-05-9653 HRZZ
Depositing User:	Marina Šekutor
Date Deposited:	29 Oct 2021 12:04
URI:	http://fulir.irb.hr/id/eprint/6591
DOI:	10.1039/d1cp03380h

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