Spectroscopy of corannulene cations in helium nanodroplets

Gatchell, Michael; Martini, Paul; Laimer, Felix; Goulart, Marcelo; Calvo, F.; Scheier, P.

doi:10.1039/c8fd00178b

Cited by 19 publications

(22 citation statements)

References 28 publications

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“…The possibility to form intense beams of complex ions that are solvated with any desired number of He atoms offers new avenues for messenger type and matrix isolation spectroscopy. [86][87][88][89][90][91][92][93] Clusters of biomolecules can be microsolvated with water which is an important issue to simulate life-like conditions and difficult to achieve with other methods. [104][105][106][107]…”

Section: Discussionmentioning

confidence: 99%

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An intense source for cold cluster ions of a specific composition

Tiefenthaler

Ameixa

Martini

et al. 2020

Review of Scientific Instruments

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Section: Discussionmentioning

confidence: 99%

“…The observation that this setup permits a controlled production of He-tagged clusters can be of major interest in the field of ion spectroscopy, especially at low temperatures. [86][87][88][89][90][91][92][93][94][95][96][97][98][99][100]…”

Section: Articlementioning

confidence: 99%

An intense source for cold cluster ions of a specific composition

Tiefenthaler

Ameixa

Martini

et al. 2020

Review of Scientific Instruments

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“…10) more efficiently than in traps. A benefit of this is that the gas-phase spectrum can be more accurately estimated from the action spectra and it also provides information on the structures of solvation layers, which in turn can be used to gain information of the structures of the ions themselves [178]. Here, a close cooperation between experimentalists and theorists is important for the interpretation of results and to identify details on the solvation structures.…”

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confidence: 99%

Roadmap on dynamics of molecules and clusters in the gas phase

et al. 2021

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This roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty order of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity from the smallest (diatomic) molecules to clusters and nanoparticles. Combining some of these techniques opens up new avenues to unravel hitherto unexplored reaction pathways and mechanisms, and to establish their significance in, e.g. radiotherapy and radiation damage on the nanoscale, astrophysics, astrochemistry and atmospheric science. Graphic abstract

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“… 20 A recent investigation by Gatchell et al highlighted the interplay of mass spectrometry, action spectroscopy, and path-integral molecular dynamics (PIMD) simulations to address helium solvation of corannulene cations. 55 A comprehensive theoretical study of helium coating of the three planar, cationic PAHs (pyrene, coronene, and circumcoronene) as well as benzene was performed by one of us using a similar computational methodology as in the cationic fullerene case. 56 It was found in this study that the graphitic surfaces are covered first by relatively strongly bound helium atoms which form a solid-like layer where helium atoms are highly localized above the aromatic rings.…”

Section: Introductionmentioning

confidence: 99%

Adsorption of Helium on Small Cationic PAHs: Influence of Hydrocarbon Structure on the Microsolvation Pattern

et al. 2021

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The adsorption of up to ∼100 helium atoms on cations of the planar polycyclic aromatic hydrocarbons (PAHs) anthracene, phenanthrene, fluoranthene, and pyrene was studied by combining helium nanodroplet mass spectrometry with classical and quantum computational methods. Recorded time-of-flight mass spectra reveal a unique set of structural features in the ion abundance as a function of the number of attached helium atoms for each of the investigated PAHs. Path-integral molecular dynamics simulations were used with a polarizable potential to determine the underlying adsorption patterns of helium around the studied PAH cations and in good general agreement with the experimental data. The calculated structures of the helium–PAH complexes indicate that the arrangement of adsorbed helium atoms is highly sensitive toward the structure of the solvated PAH cation. Closures of the first solvation shell around the studied PAH cations are suggested to lie between 29 and 37 adsorbed helium atoms depending on the specific PAH cation. Helium atoms are found to preferentially adsorb on these PAHs following the commensurate pattern common for graphitic surfaces, in contrast to larger carbonaceous molecules like corannulene, coronene, and fullerenes that exhibit a 1 × 1 commensurate phase.

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Spectroscopy of corannulene cations in helium nanodroplets

Abstract: We have measured the electronic spectra of corannulene cations decorated with He.

Cited by 19 publications

References 28 publications

An intense source for cold cluster ions of a specific composition

An intense source for cold cluster ions of a specific composition

Roadmap on dynamics of molecules and clusters in the gas phase

Adsorption of Helium on Small Cationic PAHs: Influence of Hydrocarbon Structure on the Microsolvation Pattern

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