Fourier transform infrared observation of the {nu}{sub 1}({sigma}) mode of linear CoC{sub 3} trapped in solid Ar
Journal Article
·
· Journal of Chemical Physics
- Department of Physics and Astronomy, Texas Christian University, Fort Worth, Texas 76129 (United States)
Fourier transform infrared (FTIR) and density functional theory (DFT) isotopic studies on cobalt-carbon species have resulted in the detection of linear CoC{sub 3}. Dual laser ablation of carbon and cobalt rods, followed by trapping the products in solid Ar at {approx}10 K, produced the CoC{sub 3} chain. FTIR measurements of {sup 13}C 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 {nu}{sub 1}({sigma}) fundamental of linear CoC{sub 3} at 1918.2 cm{sup -1}.
- OSTI ID:
- 20991310
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 6 Vol. 127; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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