Molecular Physics · 1964 · 25 citations · 14 references
Natural SciencesChemistryPhysicsQuantum ChemistrySpectroscopic AnalysisSpectroscopyAb Initio MethodsElectron Paramagnetic ResonanceElectron Spin Resonance SpectroscopyHyperfine StructureMagnetic Resonance SpectroscopyMolecular Orbital TheoryOrganic Radical SpectroscopyPyrazine ChemistryPyridazine ChemistryPyridine Chemistry
Abstract The E.S.R. spectra of the anions of 2,5- and 2,6-dimethylpyrazine have been investigated and analysed. Satisfactory agreement between experimental and calculated hyperfine splittings is found if a single Q value is used to relate the spin density and the hyperfine splitting for nitrogen. In a simple MO calculation both the inductive and heteroatom models give better agreement than the hyperconjugative model. Additional informationNotes on contributorsC.A. McDowell National Research Council of Canada Senior Research Fellow, 1963–64.
14
Molecular Orbital Theory for Organic Chemists
Andrew Streitwieser, H. W. Salzberg · Journal of The Electrochemical Society · 1962 · 1.7K citations
Natural Sciences, Chemistry, Physics +14