Electron spin resonance spectra of the radical anions of pyridine and related nitrogen heterocyclics
作者： Carolyn L. Talcott , Rollie J. Myers
DOI: 10.1080/00268976700100721
关键词: Molecular orbital 、 Spin (physics) 、 Pyrimidine 、 Physical chemistry 、 Pyrazine 、 Pyridine 、 Methyl group 、 Computational chemistry 、 Chemistry 、 Hyperconjugation 、 Coupling constant 、 Physical and Theoretical Chemistry 、 Biophysics 、 Molecular biology 、 Condensed matter physics
摘要: The E.S.R. spectra of the radical anions pyridine, 4-picoline, 3,5-lutidine, 2,6-lutidine, pyrazine, pyrimidine, pyridine N-oxide, 4-picoline N-oxide and 2,6-lutidine have been observed in liquid ammonia. data for pyrazine pyrimidine can be combined to evaluate Q N = +27·3, CN -1·7 H -24·5 gauss independently molecular orbital spin densities. Good agreement is found coupling constants N-heterocyclics McLachlan's theory with methyl group consistent both Levy's hyperconjugation equations CH3 eff. 25·7 gauss. N-oxides are satisfactory an arbitrary set parameters.
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