Experimental Identification of the Active Site in the Heteronuclear Redox 
Couples [AlVOx]+./CO/N2O (x=3, 4) by Gas‐Phase IR Spectroscopy

Debnath, Sreekanta; Knorke, Harald; Schöllkopf, Wieland; Zhou, Shaodong; Asmis, Knut R.; Schwarz, Helmut

doi:10.1002/anie.201804056

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Experimental Identification of the Active Site in the Heteronuclear Redox Couples [AlVO_x]^+./CO/N₂O (x=3, 4) by Gas‐Phase IR Spectroscopy

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Debnath, Sreekanta
Molecular Physics, Fritz Haber Institute, Max Planck Society;
Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig;

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Schöllkopf, Wieland
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Debnath, S., Knorke, H., Schöllkopf, W., Zhou, S., Asmis, K. R., & Schwarz, H. (2018). Experimental Identification of the Active Site in the Heteronuclear Redox Couples [AlVO_x]^+./CO/N₂O (x=3, 4) by Gas‐Phase IR Spectroscopy. Angewandte Chemie International Edition, 57(25), 7448-7452. doi:10.1002/anie.201804056.

Cite as: https://hdl.handle.net/21.11116/0000-0001-7473-B

Abstract

Cryogenic ion vibrational spectroscopy was used in combination with electronic structure calculations to identify the active site in the oxygen atom transfer reaction [AlVO₄]^+.+CO→[AlVO₃]^+.+CO₂. Infrared photodissociation spectra of messenger‐tagged heteronuclear clusters demonstrate that in contrast to [AlVO₄]^+., [AlVO₃]^+. is devoid of a terminal Al−O_t unit while the terminal V=O_t group remains intact. Thus it is the Al−O_t moiety that forms the active site in the [AlVO_x]^+./CO/N₂O (x=3, 4) redox couples, which is in line with theoretical predictions.