NOVEL OXIDATION DEGREE – Zn+3 IN THE MACROCYCLIC COMPOUND WITH TRANS-DI[BENZO]PORPHYRAZINE AND FLUORIDE LIGAND: QUANTUM-CHEMICAL CONSIDERATION
О. В. Михайлов, Д. В. Чачков
Abstract
Based on the results of a quantum chemical calculation using two variants of the DFT method, the possibility of the existence of a zinc heteroligand complex with trans-dibenzoporphyrazine and fluoride ion where oxidation degree of zinc is +3 that is unusual for the given chemical element, have been shown. The data on the key structural parameters and multiplicity of the ground state of this complex have been presented, too.
Topics & Concepts
PorphyrazineChemistryLigand (biochemistry)Quantum chemicalFluorideDegree (music)Inorganic chemistryPolymer chemistryOrganic chemistryMoleculePhysicsReceptorAcousticsBiochemistryStructural and Chemical Analysis of Organic and Inorganic CompoundsSynthesis and biological activitySynthesis and Reactivity of Sulfur-Containing Compounds