Author:
Grampp Günter,Pluschke Peter
Abstract
Quantum chemical calculations of various p-phenylenediamines and related compounds are correlated with different molecular properties, such as electrochemical E1/2-values, ionization potentials, pK-values, UV-VIS spectra, the activation energies of the homogeneous electron self-exchange rates, and the synproportionation constants. All correlations are in good agreement with the predictions of simple HMO-theory.
Publisher
Institute of Organic Chemistry & Biochemistry
Cited by
10 articles.
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