Calculation of g Values for O3−, NO22−, and NF2
作者： Don W. Hayden , Douglas C. McCain
DOI: 10.1063/1.1677942
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摘要: Electron spin g values have been calculated for the isoelectronic π radicals O3−, NO22−, and NF2 using an SCF Hartree‐Fock type approach with a minimum basis set of Slater orbitals number excited states each species. The results show fair agreement experimental data. In addition, some new data are reported ozonide ion, O3−.
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sci-hub.se 参考文章(9)
A. W. Petrocelli, Il’ya Ivanovich Vol’nov, Peroxides, Superoxides, and Ozonides of Alkali and Alkaline Earth Metals ,(1966)
Lawrence W. Hrubesh, Edgar A. Rinehart, Roger E. Anderson, Microwave rotational spectrum of the NF2 free radical Journal of Molecular Spectroscopy. ,vol. 36, pp. 354- 356 ,(1970) , 10.1016/0022-2852(70)90116-5
Douglas C. McCain, William E. Palke, Calculation of Hyperfine Coupling Constants in Inorganic Radicals The Journal of Chemical Physics. ,vol. 56, pp. 4957- 4965 ,(1972) , 10.1063/1.1676974
E. Clementi, D. L. Raimondi, Atomic Screening Constants from SCF Functions The Journal of Chemical Physics. ,vol. 38, pp. 2686- 2689 ,(1963) , 10.1063/1.1733573
Raymond Ettinger, Charles B. Colburn, Further Nuclear Magnetic Resonance and Electron Paramagnetic Resonance Studies on the System N2F4⇋ 2NF2 Inorganic Chemistry. ,vol. 2, pp. 1311- 1313 ,(1963) , 10.1021/IC50010A056
L. H. Piette, F. A. Johnson, K. A. Booman, Charles B. Colburn, An EPR Study of the Tetrafluorohydrazine‐Difluoramino Equilibrium Journal of Chemical Physics. ,vol. 35, pp. 1481- 1482 ,(1961) , 10.1063/1.1732068
J. W. T. Spinks, Gerhard Herzberg, Molecular Spectra and Molecular Structure ,(1992)
J.E. Bennett, D.J.E. Ingram, M.C.R. Symons, P. George, J. Stanley Griffith, Paramagnetic resonance in sodium and potassium superoxides Philosophical Magazine Series 1. ,vol. 46, pp. 443- 444 ,(1955) , 10.1080/14786440408520577
Carrington A Maclachlan A, Introduction to Magnetic Resonance ,(1967)