Hybrid heterogeneous photocatalyst development depends on an in-depth understanding of the coordination environment for single metal atom active sites. Experiments on gas phase metal complexes yield insights into the ligand binding motifs that can occur on single metal centers. In this talk, we demonstrate the formation of [Ti(CO2)y]− (y = 4–6) gas phase clusters with highly coordinated titanium metal centers. We will discuss redistribution of the electron density of these anionic clusters due to increased coordination number. Gas phase anionic clusters were generated using laser ablation of a titanium metal target in the presence of a CO2 expansion, and the infrared photodissociation spectra were measured from 950–2400 cm−1, revealing vibrations characteristic of different ligands in the titanium coordination sphere. The molecular structure of these clusters was identified by comparing the experimental vibrational spectra with density functional theory calculations.

Coordination chemistry in titanium-carbon dioxide anionic clusters studied by infrared photodissociation spectroscopy

254th National Meeting (2017)

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