We study small titanium oxide\textendashCO2\ cluster anions\ in vacuo\ to understand the fundamental interactions between TiOx\ and CO2\ in the presence of an excess electron. Infrared spectra of [TiOx(CO2)y]-\ (x\ = 1\textendash3,\ 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.
BT - The Journal of Physical Chemistry A DA - 2018-08 DO - 10.1021/acs.jpca.8b06229 N2 -We study small titanium oxide\textendashCO2\ cluster anions\ in vacuo\ to understand the fundamental interactions between TiOx\ and CO2\ in the presence of an excess electron. Infrared spectra of [TiOx(CO2)y]-\ (x\ = 1\textendash3,\ 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.
PY - 2018 SP - 6909 EP - 6917 T2 - The Journal of Physical Chemistry A TI - Interactions of Molecular Titanium Oxides TiOx (x=1-3) with Carbon Dioxide in Cluster Anions UR - https://pubs.acs.org/doi/pdfplus/10.1021/acs.jpca.8b06229 VL - 122 SN - 1089-5639 ER -