We recently reported ground state electron affinities of all the main group atoms and homonuclear diatomic molecules from 0.08 eV to 3.613 eV using the normalized electron affinity of the hydrogen atom, as a fundamental measure of anionic electron correlation. This is designated the Hylleraas: Hyl = 0.754/2 = 0.377 eV since it was first accurately calculated using the Hylleraas variational principle. The Mulliken Hund electron correlation rules predict fifty-four superoxide states and eighty-seven nitric oxide anion states dissociating to the lowest limits. Before 1990, only a few of the experimental electron affinities of  O2, 1.070(2) to 0.050(2) eV; NO, 0.86(2) to 0.026(5) eV currently listed in standard references were assigned and no electron affinities of the nucleobases were determined. Since then we have reported multiple accurate and precise electron affinities and the DNA and RNA bases, 1.56 to 0.02 eV using the temperature dependence of negative ion mass spectrometry, electron capture detector and electrochemical methods. These are consistent with values reported from photoelectron spectrometry, electron beam, and Born Haber Cycle methods and are reproduced by semiempirical multiconfiguration configuration interaction quantum methods Here we report additional hyperfine states of superoxide and electron affinities of the methylated nucleobases and intermediates in the oxidative demethylation in DNA damage repair.

Electron affinities in nucleic acid oxidation in dealkaylation and epigenetics

248th National Meeting (2014)

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