title: Structural investigation of 5,10-A2B2-type porphyrins: palladium(II) and zinc(II) complexes of 5,10-dibromo-15,20-bis(4-methylphenyl)porphyrin.
abstract: The analysis of [5,10-dibromo-15,20-bis(4-methylphenyl)porphyrinato]palladium(II), [Pd(C34H22Br2N4)], and [5,10-dibromo-15,20-bis(4-methylphenyl)porphyrinato](methanol)zinc(II), [Zn(C34H22Br2N4)(CH4O)], reveals a small but localized influence of the bromine residues on the conformation of the macrocycle. A comparison of the 5,10-dibromo substituent pattern with literature data for 5,15-dibromoporphyrins shows similar in-plane distortions in both but a different mix of out-of-plane distortion modes for the different regiochemical arrangements.
authors.affiliation: School of Chemistry, SFI Tetrapyrrole Laboratory, Trinity Biomedical Sciences Institute, Trinity College Dublin, 152-160 Pearse Street, Dublin, 2, Ireland.
authors.forename: Mathias O
authors.initials: MO
authors.lastname: Senge
authors.affiliation: School of Chemistry, SFI Tetrapyrrole Laboratory, Trinity Biomedical Sciences Institute, Trinity College Dublin, 152-160 Pearse Street, Dublin, 2, Ireland.
authors.forename: Monika
authors.initials: M
authors.lastname: Zawadzka
mesh_terms: D001966:Bromine / Q000737:chemistry*; D056831:Coordination Complexes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D047028:Macrocyclic Compounds / Q000737:chemistry*; D008968:Molecular Conformation; D010165:Palladium / Q000737:chemistry*; D011166:Porphyrins / Q000737:chemistry*; D015032:Zinc / Q000737:chemistry*
chemical_list: C000595912:(5,10-dibromo-15,20-bis(4-methylphenyl)porphyrinato)palladium(II); D056831:Coordination Complexes; D047028:Macrocyclic Compounds; D011166:Porphyrins; D010165:Palladium; D015032:Zinc; D001966:Bromine
keywords: 5,10-A2B2-type porphyrins; 5,10-dibromo-15,20-bis(4-methylphenyl)porphyrin; 5,15-disubstitution pattern; coordination chemistry; crystal structure; normal structural decomposition (NSD) method; palladium(II) complex; zinc(II) complex