Fourier transform infrared observation of the ν1(σ) mode of linear CoC3 trapped in solid Ar

Abstract

Fourier transform infrared (FTIR) and density functional theory (DFT) isotopic studies on cobalt-carbon species have resulted in the detection of linear CoC3. Dual laser ablation of carbon and cobalt rods, followed by trapping the products in solid Ar at approximately 10 K, produced the CoC3 chain. FTIR measurements of 13C isotopic shifts are in good agreement with the predictions of DFT calculations using the B3LYP and BPW91 functionals and the 6-311+G(3df) basis set, confirming the assignment of the nu1(sigma) fundamental of linear CoC3 at 1918.2 cm(-1).