Observing the completion of the first solvation shell of carbon dioxide in argon from rotationally resolved spectra

Autor:	A. J. Barclay, A. R. W. McKellar, N. Moazzen-Ahmadi
Rok vydání:	2022
Předmět:	Physics::Atomic and Molecular Clusters FOS: Physical sciences General Materials Science Physics - Atomic and Molecular Clusters Physical and Theoretical Chemistry Physics::Chemical Physics Atomic and Molecular Clusters (physics.atm-clus)
DOI:	10.48550/arxiv.2207.01522
Popis:	Widespread interest in weakly bound molecular clusters of medium size (5-50 molecules) is motivated by their complicated energy landscapes, which lead to hundreds or thousands of distinct isomers. But most studies are theoretical in nature, and there are no experimental results which provide definitive structural information on completion of the first solvation shell. Here we assign rotationally resolved mid-infrared spectra to argon clusters containing a single carbon dioxide molecule, CO2-Ar15 and CO2-Ar17. These mark completion of the first solvation shell for CO2 in argon. The assignments are confirmed by nuclear spin intensity alternation in the spectra, a marker of highly symmetric structures for these clusters. Precise values are determined for rotational parameters, and for shifts of the CO2 vibrational frequency induced by the argon atoms. The spectra indicate possible low frequency (~2 cm-1) vibrational modes in these clusters, posing a challenge for future cluster theory. Comment: 14 pages, 2 figures, 2 tables
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::adc3e358b3b70f39c43b42c5b29dbb13 Zobrazit plný text záznamu