Abstract.
The electron pair density, in conjunction with the theory of an atom in a molecule, enables one to unambiguously determine the nature of the bonding between the gallium atoms in bent [HGa-GaH]2−. The Ga-Ga bonding in the dianion at the experimental bond length is found to be the result of the sharing of two electron pairs at the Hartree-Fock level of theory, the level consistent with the Lewis model of the electron pair.
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Received: 27 July 2000 / Accepted: 4 October 2000 / Published online: 19 January 2001
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Molina Molina, J., Dobado, J., Heard, G. et al. Recognizing a triple bond between main group atoms. Theor Chem Acc 105, 365–373 (2001). https://doi.org/10.1007/s002140000232
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DOI: https://doi.org/10.1007/s002140000232