Polarization and Dipole Moment Effects on Sigma-Hole Potential in Tin(IV)-Porphyrins.

ABSTRACT: This study investigates how electron-withdrawing substitution, molecular polarization, and dipole moment influence the σ-hole potential in six-coordinate metalloporphyrins. To evaluate halogen bonding tendencies, we synthesized a series of five Sn(IV)-5,10,15,20-meso-tetrakis(4-iodophenyl)porphyrin complexes with various fluorinated phenolate axial ligands. Single-crystal X-ray diffraction analysis revealed distinct halogen-bonded supramolecular motifs, which vary depending on the degree of fluorination at the axial ligands. Our findings highlight the critical role of ligand-induced polarization and dipole moment variations in modulating the σ-hole characteristics of the equatorial iodine atoms. Computational modelling showed that increased fluorine substitution reduces both the atomic dip

SUBMITTER: Siddiqui R 

PROVIDER: S-EPMC12351427 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature