Journal of Physical Chemistry A, Vol.103, No.13, 2066-2075, 1999
Infrared spectra and density functional calculations for OMCO, OM-(eta(2)-CO), OMCO+, and OMOC+ (M = V, Ti) in solid argon
Laser-ablated V and Ti atoms react with CO2 molecules to give primarily the insertion products, OMCO and O2M(CO)(2), which have been isolated in a solid argon matrix. Photoisomerization of OMCO molecules to form the side-bonded OM-(eta(2)-CO) isomers and photoionization to give the OMCO+ and OMOC+ cations proceed upon mercury are photolysis. The product absorptions were identified by isotopic substitution and density functional calculations of isotopic frequencies.
Keywords:LASER-ABLATED TITANIUM;CARBON-DIOXIDE;METAL ATOMS;VIBRATIONAL-SPECTRA;MATRIX-ISOLATION;VANADIUM ATOMS;ROWATOMS;BASIS SET;ENERGY;GAS