Abstract
The paper presents a theoretical DFT UB3LYP/6-311++G(d,p) modeling of the structure and magnetic properties of Cu(II) coordination compounds with tridentate Schiff bases derived from 2-tosylaminobenzaldehyde and amino alcohols. It is shown that the elongation of the aliphatic chain in the amine part of ligand systems prevents the formation of binuclear metal-chelate structures. At the same time, mononuclear bis-chelate complexes, as well as mono-adducts containing a coordinated solvent molecule and a tridentate azomethine compound, are formed regardless of the number of methylene units.
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Burlov, A.S., Starikova, A.A., Vlasenko, V.G. et al. Theoretical Modeling of the Structure of N-[2-[(Hydroxyalkylimino)Methyl]Phenyl]-4-Methylbenzene-Sulfamides and Their Mono- and Binuclear Copper(II) Complexes. J Struct Chem 60, 365–372 (2019). https://doi.org/10.1134/S002247661903003X
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DOI: https://doi.org/10.1134/S002247661903003X