We explore the structures of [Ti(CO2)y]-\ cluster anions using infrared photodissociation spectroscopy and quantum chemistry calculations. The existence of spectral signatures of metal carbonyl CO stretching modes shows that insertion of titanium atoms into C\textendashO bonds represents an important reaction during the formation of these clusters. In addition to carbonyl groups, the infrared spectra show that the titanium center is coordinated to oxalato, carbonato, and oxo ligands, which form along with the metal carbonyls. The presence of a metal oxalato ligand promotes C\textendashO bond insertion in these systems. These results highlight the affinity of titanium for C\textendashO bond insertion processes.
BT - The Journal of Physical Chemistry A DA - 2018-03 DO - 10.1021/acs.jpca.8b01843 N2 -We explore the structures of [Ti(CO2)y]-\ cluster anions using infrared photodissociation spectroscopy and quantum chemistry calculations. The existence of spectral signatures of metal carbonyl CO stretching modes shows that insertion of titanium atoms into C\textendashO bonds represents an important reaction during the formation of these clusters. In addition to carbonyl groups, the infrared spectra show that the titanium center is coordinated to oxalato, carbonato, and oxo ligands, which form along with the metal carbonyls. The presence of a metal oxalato ligand promotes C\textendashO bond insertion in these systems. These results highlight the affinity of titanium for C\textendashO bond insertion processes.
PY - 2018 SP - 2983 EP - 2991 T2 - The Journal of Physical Chemistry A TI - Titanium Insertion into CO Bonds in Anionic Ti-CO2 Complexes UR - https://pubs.acs.org/doi/pdfplus/10.1021/acs.jpca.8b01843 VL - 122 SN - 1089-5639 ER -