Nitrogenase is an enzyme that converts N2 to NH3. Extraction procedures have sho

Question

Nitrogenase is an enzyme that converts N2 to NH3. Extraction procedures have shown that nitrogenase contains an iron-sulfur cluster, Fe4S4, where the atoms of each type are arranged alternatively at the corners of a cube. We wish to attempt to model the bonding in this iron-sulfur cube with the wave functions derived for an electron in a cubical (3D) box whose edges have length a; i.e., the Fe-S distance is a. Construct an energy-level diagram showing the relative ordering of the lowest 11 'molecular orbitals' of this cube. Label the levels in terms of their quantum numbers.

Explanation / Answer

uni-leipzig.de/~energy/pdf/freuse3.pdf

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