Synthesis, X-ray crystallography, spectroscopic characterizations, and density functional theory of the chloride-bound five-coordinate high-spin Iron(II) "Picket Fence" porphyrin complex.

ABSTRACT: An Fe(II)-chlorido five-coordinate picket fence porphyrin complex with the formula [K (crypt-222)][Fe^II(TpivPP)Cl]·C₆H₅Cl (I) (where TpivPP is the picket fence porphyrin and crypt-222 is the cryptand-222) has been synthesized and characterized. Cryptand-222 was used to solubilize potassium chloride . UV/Vis and IR spectroscopic data studies have also been performed. The X-ray structural analysis indicates that the Fe(II) cation is a high-spin (S = 2) porphyrin and has the dxy2dxz1dyz1dz21dx2-y21 ground-state electronic configuration. The average equatorial iron-pyrrole N bond length (Fe^__N_p = 2.1091(2) Å) and the distance between the iron and the 24-atom mean plane of the porphyrin ring (Fe-P_C = 0.57 Å) are similar to

SUBMITTER: Salhi F 

PROVIDER: S-EPMC12302510 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature