Nitrogenase is one of the most important enzymes on the planet and activates the triple bond of N2. The mechanism by which nature achieves this intriguing chemistry is unknown. Even the structural basis has remained elusive despite the availability of a high resolution crystal structure of nitrogenase. The combination of advanced spectroscopy with quantum chemistry has given important insights on the geometric and electornic structure of the FeMoCo that will be reviewed in the lecture. In parallel, studies on dinitrogen activating model complexes will be discussed.

Recent combined theoretical and experimental studies on nitrogenase and nitrogenase model complexes

243rd National Meeting (2012)

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