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Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of He_NCa².

ABSTRACT: In this Letter, we report the experimental detection of likely the largest ordered structure of helium atoms surrounding a monatomic impurity observed to date using a recently developed technique. The mass spectrometry investigation of He_NCa²⁺ clusters, formed in multiply charged helium nanodroplets, reveals magic numbers at N = 12, 32, 44, and 74. Classical optimization and path integral Monte Carlo calculations suggest the existence of up to four shells surrounding the calcium dication which are closed with well-ordered Mozartkugel-like structures: He₁₂Ca²⁺ with an icosahedron, the second at He₃₂Ca²⁺ with a dodecahedron, the third at He₄₄Ca²⁺ with a larger icosahedron, and finally for He₇₄Ca²⁺, we find that the outermost He atoms form an icosidodecahedron which contains the other inner shells. We analyze the reasons for the formation of such ordered shells in order to guide the selection of possible candidates to exhibit a similar behavior.

SUBMITTER: Zunzunegui-Bru E

PROVIDER: S-EPMC10084467 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature

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Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of HeNCa2.

Zunzunegui-Bru Eva E Gruber Elisabeth E Lázaro Teresa T Bartolomei Massimiliano M Hernández Marta I MI Campos-Martínez José J González-Lezana Tomás T Bergmeister Stefan S Zappa Fabio F Scheier Paul P Pérez de Tudela Ricardo R Hernández-Rojas Javier J Bretón José J

The journal of physical chemistry letters 20230323 13

In this Letter, we report the experimental detection of likely the largest ordered structure of helium atoms surrounding a monatomic impurity observed to date using a recently developed technique. The mass spectrometry investigation of HeNCa2+ clusters, formed in multiply charged helium nanodroplets, reveals magic numbers at N = 12, 32, 44, and 74. Classical optimization and path integral Monte Carlo calculations suggest the existence of up to four shells surr ...[more]

PMID: 36952614

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Project description:We report doping of green fluorescent protein from an electrospray ionization (ESI) source into superfluid helium droplets. From analyses of the time profiles of the doped droplets, we identify two distinct groups of droplets. The faster group has a smaller average size, on the order of 106 helium atoms/droplet, and the slower group is much larger, by at least an order of magnitude. The relative populations of these two groups depend on the temperature of the droplet source: from 11 to 5 K, the signal intensity of the slower droplet group gradually increases, from near the detection limit to comparable to that of the faster group. We postulate that the smaller droplets are formed via condensation of gaseous helium upon expansion from the pulsed valve, while the larger droplets develop from fragmentation of ejected liquid helium. Our results on the size and velocity of the condensation peak at higher source temperatures (>7 K) agree with previous reports, but those at lower temperatures (<7 K) seem to be off. We attribute this discrepancy to the masking effect of the exceedingly large droplets from the fragmentation peak in previous measurements of droplet sizes. Within the temperature range of our investigation, although the expansion condition changes from subcritical to supercritical, there is no abrupt change in either the velocity distribution or the size distribution of the condensation peak, and the most salient effect is in the increasing intensity of the fragmentation peak. The absolute doping efficiency, as expressed by the ratio of ion-doped droplets over the total number of ions from the ESI source, is on the order of 10-4, while only hundreds of doped ions have been detected. Further improvements in the ESI source are key to extending the technology for future experiments. On the other hand, the separation of the two groups of droplets in velocity is beneficial for size selection of only the smaller droplets for future experiments of electron diffraction.

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Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of He_NCa².

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Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of He<sub><i>N</i></sub>Ca<sup>2</sup>.

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Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of HeNCa2.

Publications

Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of He&lt;sub&gt;&lt;i&gt;N&lt;/i&gt;&lt;/sub&gt;Ca&lt;sup&gt;2&lt;/sup&gt;.

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Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of He_NCa².

Observation of Multiple Ordered Solvation Shells in Doped Helium Droplets: The Case of He<sub><i>N</i></sub>Ca<sup>2</sup>.