The role of radial nodes of atomic orbitals for chemical bonding and the periodic table

@article{Kaupp2007TheRO,
  title={The role of radial nodes of atomic orbitals for chemical bonding and the periodic table},
  author={M. Kaupp},
  journal={Journal of Computational Chemistry},
  year={2007},
  volume={28}
}
  • M. Kaupp
  • Published 2007
  • Medicine, Computer Science, Chemistry
  • Journal of Computational Chemistry
    • The role of radial nodes, or of their absence, in valence orbitals for chemical bonding and periodic trends is discussed from a unified viewpoint. In particular, we emphasize the special role of the absence of a radial node whenever a shell with angular quantum number l is occupied for the first time (lack of “primogenic repulsion”), as with the 1s, 2p, 3d, and 4f shells. Although the consequences of the very compact 2p shell (e.g. good isovalent hybridization, multiple bonding, high… CONTINUE READING
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    References

    Publications referenced by this paper.
    SHOWING 1-10 OF 53 REFERENCES
    Chemical Bonding in Higher Main Group Elements
    • 567
    Analysis of nondynamical correlation in the metal–ligand bond. Pauli repulsion and orbital localization in MnO−4
    • 85
    The challenge of the so-called electron configurations of the transition metals.
    • 23
    On the lack of correlation between bond lengths, dissociation energies, and force constants: the fluorine-substituted ethane homologues ☆
    • 27
    A note on nodal structures, partial screening, and periodic trends among alkali metals and alkaline earths
    • 21
    A VALENCE BOND PERSPECTIVE ON THE MOLECULAR SHAPES OF SIMPLE METAL ALKYLS AND HYDRIDES
    • 64
    "Non-VSEPR" Structures and Bonding in d(0) Systems.
    • 96
    Dirac-Fock One-Centre Calculations Part 8. The 1Σ States of ScH, YH, LaH, AcH, TmH, LuH and LrH
    • 61
    Benchmarking approximate density functional theory. I. s/d excitation energies in 3d transition metal cations
    • 41
    Orthogonal and non-orthogonal hybrids
    • 46