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Lineare Korrelation der chemischen Verschiebung der Vinylprotonen mit den LCAO‐MO‐π‐Elektronendichten in meta‐ und para‐substituierten Styrolen und Zimtsäuren
Author(s) -
Wehrli F. W.,
Pretsch E.,
Simon W.
Publication year - 1967
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19670500802
Subject(s) - chemistry , linear combination of atomic orbitals , carbon atom , computational chemistry , proton , chemical shift , stereochemistry , organic chemistry , density functional theory , physics , nuclear physics , basis set , alkyl
A linear correlation was found between the proton chemical shifts of the vinyl protons in m / p ‐substituted styrenes and cinnamic acids and the π‐electron densities of the corresponding carbon atom, calculated by the simple LCAO‐MO procedure, using standard values for the perturbation parameters.