Density functional study of sulphur hexafluoride (SF6) and its hydrogen derivatives
作者： Marta Kinga Bruska , Jacek Piechota
DOI: 10.1080/08927020802258708
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摘要: Density functional study has been performed for a group of compounds derived from sulphur hexafluoride (SF6) by consecutively substituting fluorine with hydrogen. SF6 is widely used as the insulating gas in electrical industry and recognised one greenhouse gases extraordinary global warming potential. The aim present to look potential industrial alternatives well examine mechanisms that can contribute its faster atmospheric decay. ground state geometries, binding energies, vibrational spectra, charge distributions, dipole moments, thermodynamic properties series SF6 − n H n (n = 0,…,6) molecules have obtained discussed. For comparison, computational results SCl6 molecule also included study.
sci-hub.se 参考文章(35)
R. N. Compton, R. H. Huebner, P. W. Reinhardt, L. G. Christophorou, THRESHOLD ELECTRON IMPACT EXCITATION OF ATOMS AND MOLECULES: DETECTION OF TRIPLET AND TEMPORARY NEGATIVE ION STATES. Journal of Chemical Physics. ,vol. 48, pp. 901- 909 ,(1968) , 10.1063/1.1668733
A.P. Hitchcock, C.E. Brion, Inner shell excitation of SF6 by 2.5 keV electron impact principles and practice of constraint programming. ,vol. 33, pp. 55- 64 ,(1978) , 10.1016/0301-0104(78)87070-0
D. Blechschmidt, R. Haensel, E.E. Koch, U. Nielsen, T. Sagawa, The optical spectra of gaseous and solid SF6 in the extreme ultraviolet and soft x-ray region Chemical Physics Letters. ,vol. 14, pp. 33- 36 ,(1972) , 10.1016/0009-2614(72)87134-3
Vernon H. Dibeler, James A. Walker, Photoionization Efficiency Curve for SF6 in the Wavelength Region 1050 to 600 Å The Journal of Chemical Physics. ,vol. 44, pp. 4405- 4406 ,(1966) , 10.1063/1.1726652
A. Chutjian, A. Garscadden, J.M. Wadehra, Electron Attachment to Molecules at Low Electron Energies Physics Reports. ,vol. 264, pp. 393- 470 ,(1996) , 10.1016/0370-1573(95)00022-4
B. Delley, Vibrations and dissociation of molecules in strong electric fields: N2, NACl, H2O and SF6 Journal of Molecular Structure-theochem. ,vol. 434, pp. 229- 237 ,(1998) , 10.1016/S0166-1280(98)00111-0
W. T. STURGES, A Potent Greenhouse Gas Identified in the Atmosphere: SF5CF3 Science. ,vol. 289, pp. 611- 613 ,(2000) , 10.1126/SCIENCE.289.5479.611
D. C. Frost, C. A. McDowell, J. S. Sandhu, D. A. Vroom, Photoelectron Spectrum of Sulfur Hexafluoride at 584 Å The Journal of Chemical Physics. ,vol. 46, pp. 2008- 2009 ,(1967) , 10.1063/1.1840979
Malcolm K. W. Ko, Nien Dak Sze, Wei-Chyung Wang, George Shia, Aaron Goldman, Frank J. Murcray, David G. Murcray, Curtis P. Rinsland, Atmospheric sulfur hexafluoride: Sources, sinks and greenhouse warming Journal of Geophysical Research. ,vol. 98, pp. 10499- 10507 ,(1993) , 10.1029/93JD00228
P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas Physical Review. ,vol. 136, pp. 864- 871 ,(1964) , 10.1103/PHYSREV.136.B864