GEOMETRY OF LITHIUM PEROXIDE

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 Title: GEOMETRY OF LITHIUM PEROXIDE Creators: Yates, J. H.; Pitzer, Russell M. Issue Date: 1974 Publisher: Ohio State University 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). Description: Author Institution: Department of Chemistry, The Ohio State University URI: http://hdl.handle.net/1811/16347 Other Identifiers: 1974-RE'-2