My Blog

NOVEL OXIDATION DEGREE – Zn+3 IN THE MACROCYCLIC COMPOUND WITH TRANS-DI[BENZO]PORPHYRAZINE AND FLUORIDE LIGAND: QUANTUM-CHEMICAL CONSIDERATION

NOVEL OXIDATION DEGREE – Zn+3 IN THE MACROCYCLIC COMPOUND WITH TRANS-DI[BENZO]PORPHYRAZINE AND FLUORIDE LIGAND: QUANTUM-CHEMICAL CONSIDERATION

Author: Oleg V. Mikhailov, Denis V. Chachkov
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.

Keywords: zinc(III), fluoride ligand, di[benzo]porphyrazine, DFT method

Leave a Comment

Your email address will not be published. Required fields are marked *