title: Influence of the Outer Ligands on Metal-to-Ligand Charge Transfer in Solvated Manganese Porphyrins.
abstract: Two manganese porphyrin complexes, manganese tetraphenylporphyrin chloride (MnTPP-Cl) and manganese octaethylporphyrin chloride (MnOEP-Cl), exhibit distinctive spectral features of metal-to-ligand charge-transfer (MLCT) when dissolved in dichloromethane, characterized by resonant inelastic X-ray scattering at the Mn L-edge and N K-edge. The metal-ligand orbital mixing that mediates the MLCT is analyzed with the help of density functional theory/restricted open-shell configuration interaction singles calculations. On the basis of experimental and theoretical analyses, the distinctive MLCT is argued to originate from alteration of the porphyrin outer ligands: phenyl groups in MnTPP-Cl and ethyl groups in MnOEP-Cl.
authors.affiliation: Department of Chemistry, Free University Berlin , Takustrasse 3, 14195 Berlin, Germany.
authors.forename: Ronny
authors.initials: R
authors.lastname: Golnak
authors.forename: Jie
authors.initials: J
authors.lastname: Xiao
authors.forename: Marvin
authors.initials: M
authors.lastname: Pohl
authors.forename: Christoph
authors.initials: C
authors.lastname: Schwanke
authors.forename: Antje
authors.initials: A
authors.lastname: Neubauer
authors.forename: Kathrin M
authors.initials: KM
authors.lastname: Lange
authors.affiliation: Department of Physics, Free University Berlin , Arnimallee 14, 14195 Berlin, Germany.
authors.forename: Kaan
authors.initials: K
authors.lastname: Atak
authors.affiliation: Department of Physics, Free University Berlin , Arnimallee 14, 14195 Berlin, Germany.
authors.forename: Emad F
authors.initials: EF
authors.lastname: Aziz