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• W2006064703 abstract "To gain insight into the optimum geometry of the CO dimer, conventional ab initio and density functional calculations have been carried out. The potential energy surface of the CO dimer appeared to be very flat. Nonetheless, the planar distorted T-shaped structure was computed to be the most stable structure. The slipped antiparallel structure was also computed to be a local minimum. Both the linear and the nonplanar crossed structures seemed unstable. The slipped parallel structure was calculated to correspond to a saddle point. In addition to computing the optimum geometry of (CO)2, the matrix isolated infrared spectra were taken for CO dispersed in solid argon. Three peaks were identified at 2136.4, 2138.4, and 2139.9 cm−1. The most distinct peak at 2138.4 cm−1 could be assigned to monomeric CO. The other two peaks were attributed to distorted T-shaped dimeric CO species, the 2136.4 cm−1 peak due to (CO)2 bound through the CO…OC interaction and the 2139.9 cm−1 peak due to (CO)2 bound through the OC…CO interaction." @default.
• W2006064703 created "2016-06-24" @default.
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• W2006064703 date "1997-11-01" @default.
• W2006064703 modified "2023-09-26" @default.
• W2006064703 title "Optimum geometry of CO dimer and FT-IR spectra of CO in solid argon" @default.
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• W2006064703 doi "https://doi.org/10.1016/s0166-1280(97)00019-5" @default.
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