Crystal structure, ferromagnetostructural behavior and evidence of cooperative Jahn-Teller interactions of the complex [CuL] CL·H2O (L = N-glycyl-2(aminomethyl)benzimidazol), synthesized by a novel simple method of peptide bond formation

Ivan García-Orozco, Antonio Rafael Tapia-Benavides, Cecilio Alvarez-Toledano, Ruben A. Toscano, Daniel Ramírez-Rosales, Rafael Zamorano-Ulloa, Yasmi Reyes-Ortega

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14 Citas (Scopus)

Resumen

[CuL] Cl·H2O 1 (L = N-glycyl-2(aminomethyl)benzimidazol) compound crystallizes in the orthorhombic space group Pna21 with unit cell parameters a = 7.140(5) Å, b = 17.621(5) Å, c = 9.941(5) Å. Its structure shows that the copper(II) ion is tetra coordinated with a square planar geometry. The ligand acts as a tridentate and the chloride ion is the fourth ligand. Symmetry related units stack into helicoidal columns along the ā direction producing weakly bonded strips with dihedral angles of 2.6° between two consecutive molecular planes. UV/VIS spectrum of 1 shows one broad and weak band at 622 nm, characteristic of d-d transitions, indicative of low local Cu(II) symmetry. X band ESR spectra of 1 at 300 and 77 K are axial exchange narrow lines with g = 2.135 and g = 2.028. However, the axial spectrum at 6.4 K shows an increment Δg = 0.076(6) and Δg⊥ = 0.028(4) which suggests a cooperative Jahn-Teller interactions between complexes via the hydrogen-bonding network. Magnetic susceptibility data at 18-300 K and fitted to the modified Bleany-Bowers equation indicate a weak ferromagnetic coupling with 2J ≅ +17 cm-1, which is compatible with the helium temperature ESR results and with the helicoidal stacking into columns of the molecules along the a-axis with 78.9° Cu′-Cl′-Cu and 81.2° Cu′-N(1)-Cu bonds angles. The synthesis is a novel, simple and efficient method: in aqueous conditions and heterogeneous phase with basic copper(II) carbonate, which carries out the formation of the stable peptide bond.

Idioma originalInglés
Páginas (desde-hasta)57-64
Número de páginas8
PublicaciónJournal of Molecular Structure
Volumen604
N.º1
DOI
EstadoPublicada - 23 ene. 2002

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