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Molecules with Very Weak Bonds: The Edge of Covalency

Published online by Cambridge University Press:  01 January 2022

Jerome A. Berson
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Abstract

Because most chemical reactions, by definition, cannot avoid breaking of bonds, weakly bonded species exist fleetingly in almost every chemical change. Historically, chemical quantum mechanics was aimed at explaining the nature of strong bonds. The theory involved a number of approximations to the full solution of the Schrödinger equation. The study of non-Kekulé molecules provides an opportunity to test whether modern quantum chemical computations are competent to deal with the nature of molecules with very weak bonds.

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References

Berson, J. A. (1982), “Capturable Diradicals of the Trimethylenemethane Series”, in Borden, W. T. (ed.), Diradicals. New York: Wiley-Interscience, 151–194.Google Scholar
Berson, J. A. (1988), “Meta-Quinonoid Compounds”, in Patai, S. and Rappoport, Z. (eds.), The Chemistry of the Quinonoid Compounds. New York: Wiley, 455–536.Google Scholar
Berson, J. A. (1998), “Structural Determinants of Chemical and Magnetic Properties of Non-Kekulé Molecules”, in Lahti, P. M. (ed.), Magnetic Properties of Organic Materials, New York: Dekker.Google Scholar
Berson, J. A. (2004), “Non-Kekulé Molecules as Reactive Intermediates”, in Moss, R. A., Platz, M. S., and Jones, Maitland Jr. (eds.), Reactive Intermediate Chemistry. New York: Wiley-Interscience, 165–203.Google Scholar
Borden, W. T., and Davidson, E. R. (1977), “Effects of Electron Repulsion in Conjugated Hydrocarbon Diradicals”, Effects of Electron Repulsion in Conjugated Hydrocarbon Diradicals 99:4586–4594.Google Scholar
Dewar, M. J. S. (1969), The Molecular Orbital Theory of Organic Chemistry. New York: McGraw-Hill.Google Scholar
Dowd, P. (1966), “Trimethylenemethane”, Trimethylenemethane 88:2587–2589.Google Scholar
Klein, D. J., Nelin, C. J., Alexander, S., and Matsen, F. A. (1982), “High-Spin Hydrocarbons”, High-Spin Hydrocarbons 77:3101–3108.Google Scholar
Kutzelnigg, W. (1996), “Friedrich Hund and Chemistry”, Friedrich Hund and Chemistry 35:573–586.Google Scholar
Longuet-Higgins, H. C. (1950), “Some Studies in Molecular Orbital Theory I: Resonance Structures and Molecular Orbitals in Unsaturated Hydrocarbons”, Some Studies in Molecular Orbital Theory I: Resonance Structures and Molecular Orbitals in Unsaturated Hydrocarbons 18:265–274.Google Scholar
Misurkin, I. A., and Ovchinnikov, A. A. (1977), “Electronic Structure and Properties of Polymer Molecules with Conjugated Bonds”, Electronic Structure and Properties of Polymer Molecules with Conjugated Bonds 46:1835–1870.Google Scholar
Ovchinnikov, A. A. (1978), “Multiplicity of the Ground State of Large Alternant Organic Molecules with Conjugated Bonds (Do Organic Ferromagnets Exist?)”, Multiplicity of the Ground State of Large Alternant Organic Molecules with Conjugated Bonds (Do Organic Ferromagnets Exist?) 47:297–304.Google Scholar