Dalton Transactions · 2014 · 104 citations · 58 references
Natural SciencesChemistryPhysicsInorganic ChemistryPhysical ChemistrySpectroscopyAb Initio MethodsChemical BondingCoordination ChemistryElectronic StructureMolecular Orbital TheoryTransition Metal ComplexesElectron-donating GroupsElectronic Structure AnalysisElectronic Structure Of Metal ComplexesSubstitution Pattern Analysis
Four isomerically pure octasubstituted zinc phthalocyanines with variations in the attachment atom and positions of the substituents were selected for a systematic investigation of the effect of the substitution pattern on their electronic and spectroscopic properties. Effects which were investigated are the position, the electron donating and withdrawing properties, and the donating force of the substituent. The results are discussed and interpreted based on theoretical and experimental determination of the orbital levels. This work allows us to highlight which substitution patterns are the most suitable considering different common applications of phthalocyanines.
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