Synthesis, characterization, and theoretical studies of metal complexes derived from the chiral tripyridyldiamine ligand Bn-CDPy3.

ABSTRACT: Synthesis and characterization of metal complexes of the chiral tripyridyldiamine ligand Bn-CDPy3 (1), derived from trans-1,2-diaminocyclohexane, are described, along with theoretical studies that support the experimental data. These studies confirm that a single coordination geometry, out of five possible, is favored for octahedral complexes of the type [M(Bn-CDPy3)Cl], where M equals Co(III), Fe(II), and Zn(II). A combination of X-ray crystallographic and NMR spectroscopic methods was used to define the structures of the complexes [Co(Bn-CDPy3)Cl]Cl(2) (5), [Fe(Bn-CDPy3)Cl]X (X = FeCl(4), Cl, ClO(4), 6-8), and [Zn(Bn-CDPy3)Cl](2)ZnCl(4) (9) in the solid state and in solution. Experimental and theoretical data indicate that the most stable coordination geometry for all complexes possesses

SUBMITTER: Abouelatta AI 

PROVIDER: S-EPMC4334124 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature