Journal of Physical Chemistry A, Vol.106, No.16, 4042-4053, 2002
Reactions of laser-ablated osmium and ruthenium atoms with carbon dioxide: Matrix infrared spectra and density functional calculations on OMCO, O2MCO, OMCO- (M = Os, Ru), O2Os(CO)(2), and OCRu(O-2)CO
Laser-ablated Os and Ru atoms react with CO2 molecules upon cocondensation in excess argon at 7 K and neon at 4 K. Besides the dominant neutral products [OMCO, O2MCO (M = Os, Ru), O2OS(CO)(2), and OCRu(O-2)CO], anionic species [OMCO- (M = Os, Ru)] are also formed and identified through annealing, ultraviolet irradiation, isotopic substitution, and CCl4-doping experiments. DFT calculations have been performed on possible products, and the overall agreement between the calculated and observed vibrational absorptions supports the product identifications.