Debnath Sreekanta, Knorke Harald, Schöllkopf Wieland, Zhou Shaodong, Asmis Knut R, Schwarz Helmut
Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstr. 2, 04103, Leipzig, Germany.
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany.
Angew Chem Int Ed Engl. 2018 Jun 18;57(25):7448-7452. doi: 10.1002/anie.201804056. Epub 2018 May 23.
Cryogenic ion vibrational spectroscopy was used in combination with electronic structure calculations to identify the active site in the oxygen atom transfer reaction [AlVO ] +CO→[AlVO ] +CO . Infrared photodissociation spectra of messenger-tagged heteronuclear clusters demonstrate that in contrast to [AlVO ] , [AlVO ] is devoid of a terminal Al-O unit while the terminal V=O group remains intact. Thus it is the Al-O moiety that forms the active site in the [AlVO ] /CO/N O (x=3, 4) redox couples, which is in line with theoretical predictions.
低温离子振动光谱与电子结构计算相结合，用于确定氧原子转移反应[AlVO ] +CO→[AlVO ] +CO 中的活性位点。信使标记的异核簇的红外光解离光谱表明，与[AlVO ] 相比，[AlVO ] 没有末端Al-O单元，而末端V=O基团保持完整。因此，在[AlVO ] /CO/N O (x=3, 4)氧化还原对中，形成活性位点的是Al-O部分，这与理论预测一致。
