Saddle-shaped six-coordinate iron(iii) porphyrin complex with unusual intermediate-spin electronic structure

Abstract

An unusual intermediate-spin electronic structure d(xz,yz)(3)d(xy)(1)d(z(2))(1) has been assigned to the six-coordinate saddled [Fe(OETPP)(4-CNPy)(2)](+) complex through density functional calculation and NMR spectroscopy analysis.