DFT calculation Density functional theory 6 X ray diffraction 6 article 6 chemical structure 6 chemistry 6 Carboxylation 4 Complexation 4 Coordination reactions 4 Crystal structure 4 Electronic structure 4 Models, Chemical 4 Pentafluorophenyl 4 Porphyrins 4 Sulfur compounds 4 2,2' bipyridine 2 2,2'-Dipyridyl 2 2,3,7,8,13,17,18 octabromo 5,10,15,20 tetrakis(pentafluorophenyl)porphyrin 2 4-Quinolones 2 4-dimethylaminopyridine 2 Acetonitrile 2 Alkylating reagents 2 Alkylation 2 Aluminum 2 Animals 2 Anti-Infective Agents 2 Anti-microbial activity 2 Antiferro-magnetic interactions 2 Antiferromagnetism 2 Antimicrobial activity 2