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Experimental Identification of the Active Site in the Heteronuclear Redox Couples [AlVOx]+./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 [AlVOx]+./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: http://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−Ot unit while the terminal V=Ot group remains intact. Thus it is the Al−Ot moiety that forms the active site in the [AlVOx]+./CO/N2O (x=3, 4) redox couples, which is in line with theoretical predictions.