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

Leah G Dodson; Michael C Thompson; J Mathias Weber

doi:10.1021/acs.jpca.8b06229

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

J Phys Chem A. 2018 Aug 30;122(34):6909-6917. doi: 10.1021/acs.jpca.8b06229. Epub 2018 Aug 21.

Authors

Leah G Dodson¹, Michael C Thompson², J Mathias Weber²

Affiliations

¹ JILA and NIST , University of Colorado , 0440 UCB , Boulder , Colorado 80309-0440 , United States.
² JILA and Department of Chemistry , University of Colorado , 0440 UCB , Boulder , Colorado 80309-0440 , United States.

PMID: 30088932
DOI: 10.1021/acs.jpca.8b06229

Abstract

We study small titanium oxide-CO₂ cluster anions in vacuo to understand the fundamental interactions between TiO _x and CO₂ in the presence of an excess electron. Infrared spectra of [TiO _x(CO₂) _y]^- ( x = 1-3, y > 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.