34322-11-7Relevant academic research and scientific papers
Isotope effect in the formation of hydrogen peroxide by the sonolysis of light and heavy water
Nikitenko
, p. 649 - 653 (2000)
The kinetics of the formation of hydrogen peroxide by the sonolysis of light and heavy water in argon and oxygen atmospheres was investigated. The sonochemical reaction has a zero order with respect to hydrogen peroxide (H2O2, D2O2, or DHO2). The measurement of the kinetic isotope effect (α), defined as the ratio of the reaction rates in H2O and D2O, carried out under argon gave a value of 2.2±0.3. The observed isotope effect decreases with an increase in the concentration of light water in H2O-D2O mixtures. No isotope effect is displayed in the oxygen atmosphere (α = 1.05±0.10). The isotope effect is determined presumably by the mechanism of sonochemical decomposition of water molecules, which includes the H2O-Ar* and D2O-Ar* energy exchange (where Ar* are argon atoms in the 3P20 excited state) in the nonequilibrium plasma generated by a shock wave, arising upon a cavitation collapse.
Vibrational overtone spectrum of matrix isolated cis, cis-HOONO
Zhang, Xu,Nimlos, Mark R.,Ellison, G. Barney,Varner, Mychel E.,Stanton, John F.
, p. 1 - 5 (2009/02/03)
Cis, cis-peroxynitrous acid is known to be an intermediate in atmospheric reactions between OH and N O2 as well as HOO and NO. The infrared absorption spectra of matrix-isolated cc-HOONO and cc-DOONO in argon have been observed in the range of 500-8000 cm-1. Besides the seven fundamentalvibrational modes that have been assigned earlier for this molecule [Zh ang, J. Chem. Phys. 124, 084305 (2006)], more than 50 of the overtone and combination bands have been observed for cc-HOONO and cc-DOONO. Ab initio CCSD(T)/atomic natural orbital anharmonic force field calculations were used to help guide the assignments. Based on this study of the vibrational overtone transitions of cis, cis-HOONO that go as high as 8000 cm-1 and the earlier paper on the vibrational fundamentals, we conclude that the CCSD(T)/ANO anharmonic frequencies seem to correct to ±35 cm-1. The success of the theoretically predicted anharmonic frequencies {} in assigning overtone spectra of HOONO up to 8000 cm-1 suggests that the CCSD(T)/ANO method is producing a reliable potential energy surface for this reactive molecule.
