Screening of different interactions in oxo-manganese porphyrin dimers containing axial N-donor ligands: a theoretical study.

ABSTRACT: A theoretical analysis for describing the dimeric assemblies of high-valent manganese(v)-oxo meso-tetraphenylporphyrin (TPP) ([(TPP)Mn^VO]₂ ²⁺) and meso-tetrakis(pentafluorophenyl)porphyrin (TPFPP) ([(TPFPP)Mn^VO]₂ ²⁺) in the presence of axial N-donor ligands is presented. Our theoretical results revealed two types interactions in dimers: a sandwich-like interaction between phenyl rings of porphyrin molecules, and a non-bonded T-shape interaction between nitrogen donors attached to Mn centers. The curvature in the geometry of porphyrin in the [(TPP)Mn^VO]₂ ²⁺/N-donor system is significantly smaller than that of [(TPFPP)Mn^VO]₂ ²⁺/N-donor system. More

SUBMITTER: Kavousi H 

PROVIDER: S-EPMC9078716 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature