Kuthan, Josef; Prochazkova, J. published the article 《Dihydropyridines. XVII. π-Electronic structure and reactivity of alkyl 3,5-dicyanopyridines》. Keywords: cyanopyridines structure reactivity; pyridines cyano structure reactivity.They researched the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0 ).Formula: C7H3N3. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:1195-58-0) here.
The π-electronic structure of alkyl 3,5-dicyanopyridines was studied by the Hueckel M.O. L.C.A.O. method. The heteroatom model was used in the calculations The exptl. course of nucleophilic reactions was in agreement with the calculated superdelocalizabilities. Some of the exptl. excitation energies depended linearly on the calculated transition energies. Correlation was found between the values of proton shifts in the N.M.R. spectra of dicyanopyridines and the corresponding electron densities.
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