Can carbon monoxide polymerize? A theoretical investigation of polyketone

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Gilles Frapper, Chang-Xing Cu, Miklos Kertesz, Jean-François Halet, Jean-Yves Saillard, Gilles Frapper and Chang-Xing Cu


Abstract

State of the art ab initio calculations on R(CO)nR (R = H, Me; n = 1–11) indicate that the hypothetical polymer of carbon monoxide, poly-CO, would be energetically less stable than the molecular form only by a few kcal mol1, making it a plausible stable allotropic form of CO.


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