Abstract

Abstract A modification of the Karplus equation is put forward, containing for mutually independent structural terms and four adjustable parameters. Among the new factors introduced in this modifi­cation are the distance between protons and Muallay's group electronegativity, used in the evalua­tion of the α-substituent effect. The new equation reproduces experimental NMR vicinal coupling constants with a standard deviation of about 0.6 Hz.

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