Matrix isolation spectroscopy is used to gain insight into mechanisms for CO oxidation by studying complexation of CO and O2 with coinage metal dimers (Cu, Ag, Au).  Neutral metal atoms are generated using a Knudsen cell incorporated into an ultra-high vacuum chamber and co-deposited with a gas mixture [0.5% dopant (CO and O2) in rare gas (Ar, Ne)].  Complex formation is initiated by warming the matrix to ~40% of matrix melting temperature (Ar~32K, Ne~10K) to allow diffusion of atoms and small molecules.  Due to the low temperature energy dissipating environment, triplet spin state dimers can be stabilized and then monitored by frequency shifts of CO and O2 probe molecules incorporated into the matrix.  DFT calculations predict differences of ~50cm-1 in vibrational frequencies of CO and O2 bound to low versus high-spin dimers.

Observing structures and electronic states of coinage metal dimers using matrix isolation FTIR of CO and O<sub>2</sub> probe molecules

244th National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

Observing structures and electronic states of coinage metal dimers using matrix isolation FTIR of CO and O2 probe molecules

Observing structures and electronic states of coinage metal dimers using matrix isolation FTIR of CO and O₂ probe molecules