Shells in CO2 clusters

Abundance spectra of (CO2)N clusters up to N ≈ 500 acquired under a wide range of adiabatic expansion conditions are analyzed within the evaporative ensemble framework. The analysis reveals that the cluster stability functions display a strikingly universal pattern for all expansion conditions. Thes...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2022-03, Vol.24 (9), p.5343-5350
Hauptverfasser: Niman, John W, Kamerin, Benjamin S, Kresin, Vitaly V, Krohn, Jan, Signorell, Ruth, Halonen, Roope, Hansen, Klavs
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Sprache:eng
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Zusammenfassung:Abundance spectra of (CO2)N clusters up to N ≈ 500 acquired under a wide range of adiabatic expansion conditions are analyzed within the evaporative ensemble framework. The analysis reveals that the cluster stability functions display a strikingly universal pattern for all expansion conditions. These patterns reflect the inherent properties of individual clusters. From this analysis the size-dependent cluster binding energies are determined, shell and subshell closing sizes are identified, and cuboctahedral packing ordering for sizes above N ≈ 130 is confirmed. It is demonstrated that a few percent variation in the dissociation energies translates into significant abundance variations, especially for the larger clusters.
ISSN:1463-9076
1463-9084
DOI:10.1039/d1cp05866e