Electronic structure of cis-Mo(P)(NO)2, where P is a porphyrin: An organometallic perspective of metalloporphyrin-NO complexes

This study presents a first MO analysis of the stereochemistry of cis-Mo(P)(NO)2, where the Mo(NO)2 unit eclipses a pair of opposite Mo-N bonds and also adopts a remarkable horseshoe-like conformation. In addition, we have uncovered a number of analogies - in terms of commonalities of metal-ligand orbital interactions - between the dinitrosylmetalloporphyrins, Fe(P)(NO)2 and Mo(P)(NO)2, and the two dialkylmetalloporphyrins, Ru(P)(CH3)2, and Zr(P)(CH3)2.