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Quantum chemistry

Quadruply bonded carbon

Determining molecular bond orders can be a delicate and sophisticated task, especially if the electronic structure of the studied system is complex. Now, two different ab initio methods have revealed that C2 and analogous species have a fourth bond, rather than the previously assumed maximum of three.

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Figure 1: The bond strength and restoring force in C2.

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Correspondence to Jörg Grunenberg.

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Grunenberg, J. Quadruply bonded carbon. Nature Chem 4, 154–155 (2012). https://doi.org/10.1038/nchem.1274

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