Reference

Theoretical investigation of lithium and sodium complexes with carbon dioxide

Theoretical investigation of lithium and sodium complexes with carbon dioxide. Jordan, Kenneth D. (Dep. Chem., Univ. Pittsburgh, Pittsburgh, PA 15260, USA). J. Phys. Chem., 88(12), 2459-65 (English) 1984. CODEN: JPCHAX. ISSN: 0022-3654. DOCUMENT TYPE: Journal CA Section: 65 (General Physical Chemistry) The geometries, stabilities, and vibrational frequencies were calcd. of LiCO2, NaCO2, Li2CO2, Na2CO2, LiC2O4 and Li2C2O4 by using the SCF Hartree-Fock method. 553-91-3 and 85355-11-9 are also in the experiment. LiCO2 exists in both C2v and Cs structures, with the former being more stable. When basis sets utilizing only s and p functions are employed, NaCO2 has Cs and C2v forms, with the latter being only weakly bound. With a larger basis set, including d polarization functions, only the C2v form of NaCO2 is predicted to be stable. For the Li2CO2 and Na2CO2 mols. the lowest energy structures have Cs symmetry. Two different D2h structures are found for both Li2C2O4 and Na2C2O4, and a C2v form for LiC2O4. .

Isotopic product rule for solid state lithium oxalate

Isotopic product rule for solid state lithium oxalate. Hase, Yoshiyuki (Inst. Quim., Univ. Estad. Campinas, Campinas 13081, Brazil). Spectrosc. Lett., 20(1), 37-44 (English) 1987. CODEN: SPLEBX. ISSN: 0038-7010. DOCUMENT TYPE: Journal CA Section: 73 (Optical, Electron, and Mass Spectroscopy and Other Related Properties) The Teller-Redlich type isotopic product rule was applied to solid state anhyd. 6Li2C2O4 and 7Li2C2O4. By assuming accidental degeneracies of some obsd. broad bands, the fundamental wavenos. reproduced the isotopic product ratios calcd. 76290-87-4 and 553-91-3 are just another two chemicals used in this study., even for the harmonic oscillator approxn. .