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GEOMETRY OF LITHIUM PEROXIDE

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Title: GEOMETRY OF LITHIUM PEROXIDE
Creators: Yates, J. H.; Pitzer, Russell M.
Issue Date: 1974
Abstract: The minimum energy geometry of lithium peroxide ($Li_{2}O_{2}$) using a small basis set of Gaussian orbitals was found to be of $D_{2h}$ symmetry. The results were confirmed at a few points with the use of a large basis set. The 0 = 0 bond distance was very nearly the same as in hydrogen peroxide. The results are in agreement with the matrix isolation work of Andrews (J. Chem. Phys., 50, 4288, (1969)). The geometry of gaseous $Li_{2}O$ was also investigated by a similar treatment. $^{4}$ K. S. Pitzer and E. Clementi, J. Amer. Chem. Soc. 81, 4477 (1959).
URI: http://hdl.handle.net/1811/16347
Other Identifiers: 1974-RE'-2
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