Experimental Identification of the Active Site in the Heteronuclear Redox Couples [AlVO<sub>x</sub>]<sup>+.</sup>/CO/N<sub>2</sub>O (x=3, 4) by Gas‐Phase IR Spectroscopy
- Debnath, S.
- Knorke, H.
- Schöllkopf, W.
- Zhou, S.
- Asmis, K.
- Schwarz, H.
DOIAbstract
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
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