Photochemical Synthesis of H2O2from the H2O···O(3P) van der Waals Complex:  Experimental Observations in Solid Krypton and Theoretical Modeling

Pehkonen, Susanna; Marushkevich, Kseniya; Khriachtchev, Leonid; Räsänen, Markku; Grigorenko, Bella L.; Nemukhin, Alexander V.

doi:10.1021/jp075233s

Cited by 19 publications

(30 citation statements)

References 43 publications

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“…10 Thermal annealing at 25 K activates extensive mobility of O atoms in solid krypton, and they can participate in diffusion-controlled reactions as discussed elsewhere. 11 The first important observation of the present work is that thermally mobilized O atoms chemically react with trans-formic acid, which leads to the formation of two absorbers marked by I and II in spectrum 2 in Figure 1. In addition, the CO 2 · · · H 2 O complex is formed from the CO · · · H 2 O + O reaction as well as a minor amount of ozone, confirming global mobility of O atoms at this temperature.…”

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confidence: 60%

Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom

et al. 2009

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Conformation dictates many physical and chemical properties of molecules. The importance of conformation in the selectivity and function of biologically active molecules is widely accepted. However, clear examples of conformation-dependent bimolecular chemical reactions are lacking. Here we consider a case of formic acid (HCOOH) that is a valuable model system containing the -COOH carboxyl functional group, similar to many biomolecules including the standard amino acids. We have found a strong case of conformation-dependent reaction between formic acid and atomic oxygen obtained in cryogenic matrices. The reaction surprisingly leads to peroxyformic acid only from the ground-state trans conformer of formic acid, and it results in the hydrogen-bonded complex for the higher-energy cis conformer.

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confidence: 60%

Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom

et al. 2009

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“…In this case, the 193‐nm photolysis of H 2 O 2 produced a van der Waals complex between water and a ground‐state oxygen atom, H 2 O⋯O(3P), and free OH radicals. The kinetic model of the photolysis of H 2 O 2 in solid argon could be described as follows:

While the yield of H 2 O–0 was found to decrease with increasing wavelengths between 193 nm and 320 nm, a light‐induced recovery of hydrogen peroxide from the water‐oxygen complex was observed upon a secondary excitation around 300 nm [28]. Such a reaction scheme may give a hint on the interpretation of light‐induced reactions of H 2 O 2 molecules under strict steric constraints, e.g.…”

Section: Introductionmentioning

confidence: 99%

Hydrogen peroxide contributes to the ultraviolet‐B (280–315 nm) induced oxidative stress of plant leaves through multiple pathways

Czégény

Dér

et al. 2014

FEBS Letters

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a b s t r a c tSolar UV-B (280-315 nm) radiation is a developmental signal in plants but may also cause oxidative stress when combined with other environmental factors. Using computer modeling and in solution experiments we show that UV-B is capable of photosensitizing hydroxyl radical production from hydrogen peroxide. We present evidence that the oxidative effect of UV-B in leaves is at least twofold: (i) it increases cellular hydrogen peroxide concentrations, to a larger extent in pyridoxine antioxidant mutant pdx1.3-1 Arabidopsis and; (ii) is capable of a partial photo-conversion of both 'natural' and 'extra' hydrogen peroxide to hydroxyl radicals. As stress conditions other than UV can increase cellular hydrogen peroxide levels, synergistic deleterious effects of various stresses may be expected already under ambient solar UV-B.

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“…Reactive oxidative species (ROS) are involved in several chemical and biological processes including atmospheric reactions1, 2, photodissociation dynamics3, regulation of plant metabolism and cell signaling4 in response to oxidative stress5, and photosynthesis6, 7. One of the simplest ROS is hydrogen peroxide.…”

Section: Introductionmentioning

confidence: 99%

Electronic excitation and ionization of hydrogen peroxide–water clusters: Comparison with water clusters

Ferreira

Martiniano

Cabral

et al. 2011

Int J of Quantum Chemistry

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ABSTRACT:Electronic properties of H 2 O 2 (H 2 O) 1−6 and (H 2 O) 1−7 clusters are reported. Emphasis was placed on the changes induced by the presence of hydrogen peroxide on the electronic properties of water aggregates. Theoretical results for excitation energies as well as vertical and adiabatic ionization energies are reported. Excitation energies were calculated with time-dependent density functional theory and equation-of-motion coupled cluster with single and double excitations (EOM-CCSD). A many-body energy decomposition scheme recently proposed was coupled to the EOM-CCSD method making possible an accurate prediction of the first vertical excitation energy of peroxide-water clusters. In comparison with water clusters, our results show that the presence of hydrogen peroxide in water clusters is characterized by a [1.5-1.8] eV red-shift of the first excitation energy. The first excitation is localized on the HOOH moiety, and no significant dependence of the first excitation energy on the cluster size is observed. The differences between vertical and adiabatic ionization energies for both water and hydrogen peroxide-water clusters reflect the feature that ionization leads to proton transfer and to a significant structural and electronic density reorganization.

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Photochemical Synthesis of H₂O₂from the H₂O···O(³P) van der Waals Complex: Experimental Observations in Solid Krypton and Theoretical Modeling

Cited by 19 publications

References 43 publications

Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom

Conformation-Dependent Chemical Reaction of Formic Acid with an Oxygen Atom

Hydrogen peroxide contributes to the ultraviolet‐B (280–315 nm) induced oxidative stress of plant leaves through multiple pathways

Electronic excitation and ionization of hydrogen peroxide–water clusters: Comparison with water clusters

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