Far-IR spectra and structures of small cationic ruthenium clusters : evidence for cubic motifs

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DOIResolve DOI: https://doi.org/10.1021/jp510471k
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  1. National Research Council Canada. Security and Disruptive Technologies
FormatText
TypeArticle
Journal titleThe Journal of Physical Chemistry C
ISSN1932-7447
1932-7455
Volume119
Issue20
Pages10869–10875
SubjectGeometry; Ruthenium Ar atom; Cluster sizes; Hybrid functional; Infrared multiple photon dissociations; IR spectrum; Ruthenium clusters; Structural assignments
Abstract
Far-IR vibrational spectra of small ruthenium cluster cations (Ru₇⁺, Ru₈⁺, and Ru₉⁺) are measured via infrared multiple photon dissociation (IR-MPD) spectroscopy using Ar atoms as messenger for the absorption. These spectra are compared to results from density functional theory calculations, leading to structural assignments. The pure functional PBE leads to better agreement with the experimental data compared to the hybrid functional PBE0. For all three cluster sizes the structures assigned are based on a cubic motif and are a distorted cube missing one corner atom (Ru₇⁺), a slightly distorted cube (Ru₈⁺), and a face-capped cube (Ru₉⁺).
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PublisherAmerican Chemical Society (ACS)
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LanguageEnglish
Peer reviewedYes
NPARC number23001030
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Record created2016-11-29
Record modified2019-03-12
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