Recognizing a triple bond between main group atoms

  title={Recognizing a triple bond between main group atoms},
  author={Jos{\'e} Molina Molina and J. A. Dobado and George L. Heard and R. F. W. Bader and Markku R. Sundberg},
  journal={Theoretical Chemistry Accounts},
  • J. Molina MolinaJ. A. Dobado Markku R. Sundberg
  • Published 4 April 2001
  • Physics, Chemistry
  • Theoretical Chemistry Accounts
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. 

The Nature of the Idealized Triple Bonds Between Principal Elements and the σ Origins of Trans-Bent Geometries-A Valence Bond Study.

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