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A CDOE/INDO LMO study of the nuclear spin-spin coupling constants between directly bonded C-H and C-C atoms

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Abstract

Müller-Pritchard (MP) type relations are used to study1 J CH and1 J CC coupling constants in a series of unsubstituted as well as in heterosubstituted hydrocarbons. In the case of the coupling constant between two atoms connected by a multiple bond, a generalised MP-type relation is derived.

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Author information

Correspondence to H. P. Figeys.

Additional information

“Aangesteld Navorser” of the Belgian National Foundation for Scientific Research (N.F.W.O.)

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Van Alsenoy, C., Figeys, H.P. & Geerlings, P. A CDOE/INDO LMO study of the nuclear spin-spin coupling constants between directly bonded C-H and C-C atoms. Theoret. Chim. Acta 55, 87–101 (1980). https://doi.org/10.1007/BF00576954

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Key words

  • CDOE-INDO-Theory
  • 1 J CH and1 J CC coupling constants
  • Müller-Pritchard relation
  • Bent's electronegativity rule