Electrons hydrogen atom

Anbar, M. and Neta, P. (1967). A compilation of specific biomolecular rate constants for the reaction of hydrated electrons, hydrogen atoms and hydroxyl radicals with inorganic and organic compounds in aqueous solutions. Int. J. Appl. Radiat. Isot. 18, 493-497. 

Buxton, G. V., Greenstock, G. L., Helman, W. P., Ross, A. B. (1988) Critical review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals in aqueous solutions. J. Phys. Chem. Ref. Data 17, 513-886. 

In his first communication23 on the new wave mechanics, Schrodinger presented and solved his famous Eq. (1.1) for the one-electron hydrogen atom. To this day the H atom is the only atomic or molecular species for which exact solutions of Schrodinger s equation are known. Hence, these hydrogenic solutions strongly guide the search for accurate solutions of many-electron systems. 

It is noted without further comment that Moseley was able to characterize his observed x-ray spectra in such a way that the individual elements are identified purely by their respective atomic numbers without any use of an atomic model. Note again, however, that the denominators in the Qk and Ql expressions are exactly the frequencies of the hydrogenic Lymann and Balmer alpha lines (Moseley s nomenclature) and that therefore Qk and Ql exactly equal the nuclear charge of a one-electron hydrogenic atom which would be deduced from the frequency v of its observed Lymann and Balmer alpha lines2. 

Basis sets for use in practical Hartree-Fock, density functional, Moller-Plesset and configuration interaction calculations make use of Gaussian-type functions. Gaussian functions are closely related to exponential functions, which are of the form of exact solutions to the one-electron hydrogen atom, and comprise a polynomial in the Cartesian coordinates (x, y, z) followed by an exponential in r. Several series of Gaussian basis sets now have received widespread use and are thoroughly documented. A summary of all electron basis sets available in Spartan is provided in Table 3-1. Except for STO-3G and 3 -21G, any of these basis sets can be supplemented with additional polarization functions and/or with diffuse functions. It should be noted that minimal (STO-3G) and split-valence (3-2IG) basis sets, which lack polarization functions, are unsuitable for use with correlated models, in particular density functional, configuration interaction and Moller-Plesset models. Discussion is provided in Section II. 

Buxton GV, Greenstock C L, Helman WP, Ross A B (1988) Critical Review of Rate Constants for Oxidation of Hydrated Electrons, Hydrogen Atoms and Hydroxyl Radicals (0H°/0° ) in Aqueous Solutions, Journal of Physical and Chemical Reference Data 17 513-886. 

To explore the spontaneity of electron/hydrogen atom transfer reactions AG° can be calculated by the following expression ... 

Percival, I.C. and Seaton, M.J. (1957). The partial wave theory of electron-hydrogen atom collisions, Proc. Camb. Phil. Soc. 53, 654-662. 

Michael BD, Hart EJ. The rate constants of hydrated electron, hydrogen atom, and hydroxyl radical reactions with benzene, 1,3-cyclohexadiene, 1,4-cyclo-hexadiene, and cyclohexene. J Phys Chem 1970 74 2878-2884. 

This movement of an electron to PS I from P680 leaves P680 in a non-excited, oxidized state. Oxidized P680 must be reduced to give up another electron. Hydrogen atoms derived from H2O reduce it according to the reaction ... 

---