Gas-phase proton-transfer reactions of the hydronium ion at 298 K

Tanner, Scott D.; Hopkinson, Alan C.; Mackay, G. I.; Tanner, Scorn D.; Böhme, Diethard K.; TANNER, S. D.

doi:10.1139/v79-248

Cited by 50 publications

(30 citation statements)

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“…The lack of needed reference substances or of an independent way of defined in-situ product formation makes signal calibration very challenging, especially for RO 2 radicals 32 . Thus, calibration factors are calculated taking into account the following: (i) collision limit of the cluster formation rate from the ion-molecule reaction [22][23][24][33][34][35][36] , i.e., reagent ion + product → (product)reagent-ion cluster or via the ligand switch reaction (X)reagent ion + product → (product) reagent-ion cluster + X (X stands for a ligand) and (ii) negligible cluster losses inside the instrument. Concentrations calculated in this way represent lower limits.…”

Section: Resultsmentioning

confidence: 99%

First oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditions

et al. 2019

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Isoprene, C 5 H 8 , inserts about half of the non-methane carbon flux of biogenic origin into the atmosphere. Its degradation is primarily initiated by the reaction with hydroxyl radicals. Here we show experimentally the formation of reactive intermediates and corresponding closedshell products from the reaction of hydroxyl radicals with isoprene for low nitric oxide and low hydroperoxy radical conditions. Detailed product analysis is achieved by mass spectrometric techniques. Quantum chemical calculations support the usefulness of applied ionization schemes. Observed peroxy radicals are the isomeric HO-C 5 H 8 O 2 radicals and their isomerization products HO-C 5 H 8 (O 2)O 2 , bearing most likely an additional hydroperoxy group, and in traces HO-C 5 H 8 (O 2) 2 O 2 with two hydroperoxy groups. Main closed-shell products from unimolecular peroxy radical reactions are hydroperoxy aldehydes, C 5 H 8 O 3 , and smaller yield products with the composition C 5 H 8 O 4 and C 4 H 8 O 5. Detected signals of C 10 H 18 O 4 , C 10 H 18 O 6 , and C 5 H 10 O 2 stand for products arising from peroxy radical self-and cross-reactions.

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Section: Resultsmentioning

confidence: 99%

First oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditions

et al. 2019

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“…The determination of their flows required separate viscosity measurements as has been described (12). The sources of most of the neutral reactants and their purities have also been given previously (13). The allene, propyne, and toluene were of normal research grade.…”

Section: Methodsmentioning

confidence: 99%

An experimental study of the reactivity of the hydroxide anion in the gas phase at room temperature, and its perturbation by hydration

Tanner¹,

Mackay²,

Böhme³

1981

Can. J. Chem.

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Flowing afterglow measurements are reported which provide rate constants and product identifications at 298 ± 2 K for the gas-phase reactions of OH− with CH3OH, C2H5OH, CH3OCH3, CH2O, CH3CHO, CH3COCH3, CH2CO, HCOOH, HCOOCH3, CH2=C=CH2, CH3—C≡CH, and C6H5CH3. The main channels observed were proton transfer and solvation of the OH−. Hydration with one molecule of H2O was observed either to reduce the rate slightly and lead to products which are the hydrated analogues of the "nude" reaction, or to stop the reaction completely, k ≤ 10−12 cm3 molecule−1 s−1. The reaction of OH−•H2O with CH3—C≡CH showed an uncertain intermediate behaviour.

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“… h Experimental value was taken from Mackay et al and was determined using the flowing afterglow technique.…”

Section: Resultsmentioning

confidence: 99%

“…g Experimental value was taken fromŠpaněl et al 38 and was determined using the SIFT technique. h Experimental value was taken from Mackay et al 39 and was determined using the flowing afterglow technique. i Theoretical and experimental values determined byŠpaněl and Smith.…”

Section: Resultsmentioning

confidence: 99%

Theoretical chemical ionization rate constants of the concurrent reactions of hydronium ions (H₃O⁺) and oxygen ions (O) with selected organic iodides

et al. 2019

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Short chain volatile iodinated organic compounds (VIOCs) are of great importance in many fields that include atmospheric chemistry, agriculture, and environmental chemistry related to nuclear power plant safety. Proton‐transfer‐reaction mass spectrometry (PTR‐MS) allows for fast, sensitive, and online quantification of VIOCs if the chemical ionization (CI) reaction rate coefficients are known. In this work, the theoretical CI rate coefficients for the reactions of hydronium ions (H3O+) and oxygen ions (O 2+) with selected atmospherically important short chain VIOCs are determined. The neutral CH3I, CH2I2, C2H5I, iso‐C3H7I, n‐C3H7I, n‐C4H9I, 2‐C4H9I, n‐C5H11I, 2‐C5H11I, and 3‐C5H11I have been chosen because these compounds are of atmospheric and environmental importance in the field of safety of nuclear plant reactors. Theoretical ion‐molecule collision rate coefficients were determined using the Su and Chesnavich theory based on parametrized trajectory calculations. The proton affinity, ionization energy, dipole moment, and polarizability values of the neutral molecules were determined from density functional theory and coupled‐cluster calculations. The newly calculated rate constants facilitate the use of the CI mass spectrometry in the atmospheric quantification of selected VIOCs.

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Gas-phase proton-transfer reactions of the hydronium ion at 298 K

Cited by 50 publications

References 22 publications

First oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditions

First oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditions

An experimental study of the reactivity of the hydroxide anion in the gas phase at room temperature, and its perturbation by hydration

Theoretical chemical ionization rate constants of the concurrent reactions of hydronium ions (H₃O⁺) and oxygen ions (O) with selected organic iodides

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Gas-phase proton-transfer reactions of the hydronium ion at 298 K

Cited by 50 publications

References 22 publications

First oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditions

First oxidation products from the reaction of hydroxyl radicals with isoprene for pristine environmental conditions

An experimental study of the reactivity of the hydroxide anion in the gas phase at room temperature, and its perturbation by hydration

Theoretical chemical ionization rate constants of the concurrent reactions of hydronium ions (H3O+) and oxygen ions (O) with selected organic iodides

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Product

Resources

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Theoretical chemical ionization rate constants of the concurrent reactions of hydronium ions (H₃O⁺) and oxygen ions (O) with selected organic iodides