Preparation of the Elusive [(por)Fe(NO)(O-ligand)] Complex by Diffusion of Nitric Oxide into a Crystal of the Precursor


  • This work was supported by a grant from the U.S. National Science Foundation (CHE-1213674 to G.B.R.-A. and CHE-0846235 to N.L.). The authors also acknowledge a grant from the NSF (grant CHE-0130835) and the University of Oklahoma for funds to purchase the X-ray instrument and computers.


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A crystal-gas method was used to prepare neutral [(por)Fe(NO)(O-ligand)] complexes. [(por)Fe(NO)(OC([DOUBLE BOND]O)CF3)] has an almost linear Fe[BOND]NO moiety. Porphyrin molecules move dramatically in the crystal upon NO diffusion into the lattice and binding to Fe. DFT calculations on this and related complexes provide insight into the trans effects of axial ligands on the Fe[BOND]NO angle.