Methane activation by titanium monoxide molecules: a matrix isolation infrared spectroscopic and theoretical study

Area of Science:

• Organometallic Chemistry
• Inorganic Chemistry
• Spectroscopy

Background:

• Titanium oxides are important materials.
• Understanding reactions of titanium compounds with hydrocarbons is crucial for catalysis and materials science.

Purpose of the Study:

• To investigate the reactions between titanium monoxide and methane.
• To characterize the resulting titanium-containing complexes and molecules.

Main Methods:

• Matrix isolation infrared spectroscopy
• Theoretical calculations
• Laser evaporation of titanium dioxide

Main Results:

• Formation of a TiO(CH4) complex with C3v symmetry.
• Photochemical rearrangement to titano-acetaldehyde (CH3Ti(O)H).
• Further rearrangement to titano-vinyl alcohol (CH2Ti(H)OH) with agostic bonding.
• Spontaneous formation of titano-isopropyl alcohol ((CH3)2Ti(H)OH) upon annealing or UV irradiation.

Conclusions:

• Novel titanium oxyhydrocarbon molecules were synthesized and identified.
• Photochemical and thermal rearrangements play key roles in these reactions.
• The study provides insights into the reactivity of titanium monoxide with methane.