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• W2947544324 endingPage "10171" @default.
• W2947544324 startingPage "10165" @default.
• W2947544324 abstract "Understanding the intrinsic properties of the hydrated carbon dioxide radical anions CO2.- (H2 O)n is relevant for electrochemical carbon dioxide functionalization. CO2.- (H2 O)n (n=2-61) is investigated by using infrared action spectroscopy in the 1150-2220 cm-1 region in an ICR (ion cyclotron resonance) cell cooled to T=80 K. The spectra show an absorption band around 1280 cm-1 , which is assigned to the symmetric C-O stretching vibration νs . It blueshifts with increasing cluster size, reaching the bulk value, within the experimental linewidth, for n=20. The antisymmetric C-O vibration νas is strongly coupled with the water bending mode ν2 , causing a broad feature at approximately 1650 cm-1 . For larger clusters, an additional broad and weak band appears above 1900 cm-1 similar to bulk water, which is assigned to a combination band of water bending and libration modes. Quantum chemical calculations provide insight into the interaction of CO2.- with the hydrogen-bonding network." @default.
• W2947544324 created "2019-06-07" @default.
• W2947544324 creator A5010482554 @default.
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• W2947544324 creator A5089155502 @default.
• W2947544324 date "2019-07-01" @default.
• W2947544324 modified "2023-10-15" @default.
• W2947544324 title "Infrared Spectroscopy of Size‐Selected Hydrated Carbon Dioxide Radical Anions CO ₂ ^.− (H ₂ O) _<i>n</i> ( <i>n</i> =2–61) in the C−O Stretch Region" @default.
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• W2947544324 doi "https://doi.org/10.1002/chem.201901650" @default.
• W2947544324 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6771497" @default.
• W2947544324 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31132183" @default.
• W2947544324 hasPublicationYear "2019" @default.
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