Abstract
ACCORDING to the quantum mechanical theory of the chemical bond in its original form, the lowest state of a diatomic molecule should be a singlet term. The ground states of C2 (3IIu) and O2 (3∑-g) found experimentally seem to be in contradiction with this theory while other considerations (Hund, Mulliken, Lennard-Jones) lead to the right result.
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References
Similar considerations for the explanation of the BeH molecule have already been applied by C. Ireland, Phys. Rev., 43, 329; 1933.
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HEITLER, W., PÖSCHL, G. Ground State of C2 and O2 and the Theory of Valency. Nature 133, 833–834 (1934). https://doi.org/10.1038/133833c0
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DOI: https://doi.org/10.1038/133833c0
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