Reactions of hydrated electrons (H2O)n- with carbon dioxide and molecular oxygen: Hydration of the CO2 - and O2- ions

O. Petru Balaj; Chi Kil Siu; Iulia Balteanu; Martin K. Beyer; Vladimir E. Bondybey

doi:10.1002/chem.200400416

Reactions of hydrated electrons (H₂O)_n^- with carbon dioxide and molecular oxygen: Hydration of the CO₂ ^- and O₂^- ions

O. Petru Balaj, Chi Kil Siu, Iulia Balteanu, Martin K. Beyer, Vladimir E. Bondybey

Chair of Physical Chemistry

Technical University of Munich

Research output: Contribution to journal › Article › peer-review

51 Scopus citations

Abstract

The gas-phase reactions of hydrated electrons with carbon dioxide and molecular oxygen were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Both CO₂ and O₂ react efficiently with (H₂O)_n^- because they possess low-lying empty π* orbitals. The molecular CO₂^- and O₂^- anions are concurrently solvated and stabilized by the water ligands to form CO₂^-(H₂O) _n and O₂^-(H₂O)_n. Core exchange reactions are also observed, in which CO₂^-(H ₂O)_n is transformed into O₂^-(H ₂O)_n upon collision with O₂. This is in agreement with the prediction based on density functional theory calculations that O₂^-(H₂O)_n clusters are thermodynamically favored with respect to CO₂^-(H ₂O)_n. Electron detachment from the product species is only observed for CO₂^-(H₂O)₂, in agreement with the calculated electron affinities and solvation energies.

Original language	English
Pages (from-to)	4822-4830
Number of pages	9
Journal	Chemistry - A European Journal
Volume	10
Issue number	19
DOIs	https://doi.org/10.1002/chem.200400416
State	Published - 4 Oct 2004

Keywords

Gas-phase reactions
Hydrated electrons
Nanodroplets
Radical ions
Solvation

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title = "Reactions of hydrated electrons (H2O)n- with carbon dioxide and molecular oxygen: Hydration of the CO2 - and O2- ions",

abstract = "The gas-phase reactions of hydrated electrons with carbon dioxide and molecular oxygen were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Both CO2 and O2 react efficiently with (H2O)n- because they possess low-lying empty π* orbitals. The molecular CO2- and O2- anions are concurrently solvated and stabilized by the water ligands to form CO2-(H2O) n and O2-(H2O)n. Core exchange reactions are also observed, in which CO2-(H 2O)n is transformed into O2-(H 2O)n upon collision with O2. This is in agreement with the prediction based on density functional theory calculations that O2-(H2O)n clusters are thermodynamically favored with respect to CO2-(H 2O)n. Electron detachment from the product species is only observed for CO2-(H2O)2, in agreement with the calculated electron affinities and solvation energies.",

keywords = "Gas-phase reactions, Hydrated electrons, Nanodroplets, Radical ions, Solvation",

author = "Balaj, {O. Petru} and Siu, {Chi Kil} and Iulia Balteanu and Beyer, {Martin K.} and Bondybey, {Vladimir E.}",

year = "2004",

month = oct,

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doi = "10.1002/chem.200400416",

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T1 - Reactions of hydrated electrons (H2O)n- with carbon dioxide and molecular oxygen

T2 - Hydration of the CO2 - and O2- ions

AU - Balaj, O. Petru

AU - Siu, Chi Kil

AU - Balteanu, Iulia

AU - Beyer, Martin K.

AU - Bondybey, Vladimir E.

PY - 2004/10/4

Y1 - 2004/10/4

N2 - The gas-phase reactions of hydrated electrons with carbon dioxide and molecular oxygen were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Both CO2 and O2 react efficiently with (H2O)n- because they possess low-lying empty π* orbitals. The molecular CO2- and O2- anions are concurrently solvated and stabilized by the water ligands to form CO2-(H2O) n and O2-(H2O)n. Core exchange reactions are also observed, in which CO2-(H 2O)n is transformed into O2-(H 2O)n upon collision with O2. This is in agreement with the prediction based on density functional theory calculations that O2-(H2O)n clusters are thermodynamically favored with respect to CO2-(H 2O)n. Electron detachment from the product species is only observed for CO2-(H2O)2, in agreement with the calculated electron affinities and solvation energies.

AB - The gas-phase reactions of hydrated electrons with carbon dioxide and molecular oxygen were studied by Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry. Both CO2 and O2 react efficiently with (H2O)n- because they possess low-lying empty π* orbitals. The molecular CO2- and O2- anions are concurrently solvated and stabilized by the water ligands to form CO2-(H2O) n and O2-(H2O)n. Core exchange reactions are also observed, in which CO2-(H 2O)n is transformed into O2-(H 2O)n upon collision with O2. This is in agreement with the prediction based on density functional theory calculations that O2-(H2O)n clusters are thermodynamically favored with respect to CO2-(H 2O)n. Electron detachment from the product species is only observed for CO2-(H2O)2, in agreement with the calculated electron affinities and solvation energies.

KW - Gas-phase reactions

KW - Hydrated electrons

KW - Nanodroplets

KW - Radical ions

KW - Solvation

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M3 - Article

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SN - 0947-6539

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SP - 4822

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JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

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ER -

Reactions of hydrated electrons (H₂O)_n^- with carbon dioxide and molecular oxygen: Hydration of the CO₂ ^- and O₂^- ions

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Keywords

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