Abstract
The concepts of bonding and antibonding orbitals were introduced by the pioneers Mulliken, Hund and Herzbergl). They became invaluable tools for the analysis of molecular spectra long before a quantitative basis could be established. To quote Mulliken: “Bonding and antibonding electrons are respectively electrons which tend to make the U(R) curves attractive or repulsive and nonbonding electrons are those which do not affect the U(R) curves”2). The K-shells in diatomic molecules like CO or N2 were assigned non-bonding character (“although we have no direct experimental evidence of their presencechrw...”2)).
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Goscinski, O. (1976). Bonding Character of Inner-Shell Orbitals in Diatomic Molecules. In: Calais, JL., Goscinski, O., Linderberg, J., Öhrn, Y. (eds) Quantum Science. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-1659-7_29
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