THE DEPENDENCE OF VICINAL PROTON-PROTON COUPLING-CONSTANTS ON MOLECULAR-STRUCTURE

Authors
MARKOVIC Z KONSTANTINOVIC S GUTMAN I
Citation
Z. Markovic et al., THE DEPENDENCE OF VICINAL PROTON-PROTON COUPLING-CONSTANTS ON MOLECULAR-STRUCTURE, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 49(7-8), 1994, pp. 815-818
Citations number
19
Categorie Soggetti
Chemistry Physical",Physics
Journal title
Zeitschrift fur Naturforschung. A, A journal of physical sciences → ACNP
ISSN journal
09320784
Volume
49
Issue
7-8
Year of publication
1994
Pages
815 - 818
Database
ISI
SICI code
0932-0784(1994)49:7-8<815:TDOVPC>2.0.ZU;2-K
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 ev aluation of the alpha-substituent effect. The new equation reproduces experimental NMR vicinal coupling constants with a standard deviation of about 0.6 Hz.