Interactions of Molecular Titanium Oxides TiOx (x=1-3) with Carbon Dioxide in Cluster Anions

Author
Abstract
<p>We study small titanium oxide\textendashCO<sub>2</sub>\&nbsp;cluster anions\&nbsp;<em>in vacuo\&nbsp;</em>to understand the fundamental interactions between TiO<sub>x</sub>\&nbsp;and CO<sub>2</sub>\&nbsp;in the presence of an excess electron. Infrared spectra of [TiO<sub>x</sub>(CO<sub>2</sub>)<sub>y</sub>]<sup>-</sup>\&nbsp;(x\&nbsp;= 1\textendash3,\&nbsp;y\&nbsp;\&gt; 1) were obtained using photodissociation spectroscopy and assigned through quantum chemistry calculations, identifying the formation of carbonato, oxalato, oxo, η2-(O,O), and carbonyl ligands in the core ions of these clusters, with carbonato ligands being the dominant ligand species.</p>
Year of Publication
2018
Journal
The Journal of Physical Chemistry A
Volume
122
Number of Pages
6909-6917
Date Published
2018-08
ISSN Number
1089-5639
URL
https://pubs.acs.org/doi/pdfplus/10.1021/acs.jpca.8b06229
DOI
10.1021/acs.jpca.8b06229
JILA PI
Journal Article