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Vibrational spectra and structure of the KO2 complex in solid argon. A far-infrared study

1994; Elsevier BV; Volume: 228; Issue: 4-5 Linguagem: Inglês

10.1016/0009-2614(94)00962-7

1873-4448

B. Tremblay, L. Manceron, Pascale Le Roy, Anne-Marie LeQuéré, Denis Roy,

Catalysis and Oxidation Reactions

Abstract The observation of new fundamental frequencies for the potassium superoxide KO2 is reported for different isotopic species: ν3 of 39K16O2, 39K18O2 and 39K16O18O, and ν2 of 41K16O2, 41K18O2, 41K16O18O and 39K17O18O. Using these values and a fixed OO internuclear distance, we calculated the geometry and force constants from a harmonic force field. We estimated an OKO angle of 37° ± 2°, and a KO internuclear distance of the order of 2.10±0.14 A. These values disagree with previous theoretical determinations.