Catalysts for Monooxygenations Made from Polyoxometalate:  An Iron(V)−Oxo Derivative of the Lindqvist Anion

• Published in: Inorganic chemistry Vol. 45; no. 21; pp. 8655 - 8663
• Main Authors: Derat, Etienne, Kumar, Devesh, Neumann, Ronny, Shaik, Sason
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 16.10.2006

This work uses density functional calculations to design a new high-valent Fe(V)O catalyst [Mo5O18FeO]3-, which is based on the Lindqvist polyoxometalate (Mo6O19 2-). Because the parent species is stable to oxidative conditions, one may assume that the newly proposed iron−oxo species will be stabl...