화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.104, No.19, 4394-4401, 2000
Reactions of Co, Ni, and Cu atoms with CS2: Infrared spectra and density-functional calculations of SMCS, M-(eta(2)-CS)S, M-CS2, and MCS2+ in solid argon
Laser-ablated cobalt, nickel, and copper atoms and cations were reacted with CS2 molecules during condensation in excess argon. The carbon-bonded M-eta(1)-CS2 and side-bonded M-(eta(2)-CS)S complexes were formed on annealing, whereas the inserted SMCS molecules were formed on photolysis. The Co-eta(1)-CS2+, Ni-eta(1)-CS2+ and Cu-SCS+ cations were also produced by metal cation reactions with CS2. The product absorptions are identified by isotopic substitutions, electron trapping with added CCl4, and density functional calculations. This work provides the first vibrational spectroscopic characterization of the Co, Ni, and Cu-CS2 neutral and cation complexes and the SMCS insertion products.