Factors that stabilize the (dxz,dyz)3(dxy)1(dz2)1(dxz,dyz)3(dxy)1(dz2)1 electron configuration in iron(III) porphyrinates: A case of bis(benzaldehyde) complex

Analysis of the 1H and 13C NMR chemical shifts has revealed that bis-ligated iron(III) porphyrinates, [Fe(Porphyrin)(L)2]±, adopt the (dxz,dyz)3(dxy)1(dz2)1(dxz,dyz)3(dxy)1(dz2)1 ground state if the complex has highly ruffled porphyrin core and carries weak oxygen ligand with multiple bond such as benzaldehyde.

Graphical abstract1H NMR, 13C NMR, and EPR studies have revealed that bis(benzaldehyde) complex of highly ruffled iron(III) porphyrinate adopts the purest S = 3/2(dxy) electronic ground state among the intermediate-spin complexes reported previously.Figure optionsDownload full-size imageDownload as PowerPoint slide