Producción Científica Profesorado

Crystal structure, ferromagnetostructural behavior and evidence of cooperative JahnTeller interactions of the complex [CuL]ClH2O (L=N-glycyl-2(aminomethyl)benzimidazol), synthesized by a novel simple method of peptide bond formation.



Tapia Benavides, Antonio Rafael

2002

Ivan García-Orozco, Antonio Rafael Tapia-Benavides, Cecilio Alvarez-Toledano, Ruben A. Toscano, Daniel Ramírez-Rosales, Rafael Zamorano-Ulloa, Yasmi Reyes-Ortega, Crystal Structure, Ferromagneto Structural Behavior and Evidence of Cooperative Jahn-Teller Interactions of the Complex [CuL]ClH2O (L = N-glycyl-2(aminomethyl)benzimidazol), Synthesized by a Novel Simple Method of Peptide Bond Formation, Journal of Molecular Structure, 604, 57-64 (2002). DOI: http://dx.doi.org/10.1016/S0022-2860(01)00649-4


Abstract


[CuL]ClH2O 1 (L=N-glycyl-2(aminomethyl)benzimidazol) compound crystallizes in the orthorhombic space group Pna21 with unit cell parameters 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 ? 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 dd 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 ?g?=0.076(6) and ?g?=0.028(4) which suggests a cooperative JahnTeller interactions between complexes via the hydrogen-bonding network. Magnetic susceptibility data at 18300 K and fitted to the modified BleanyBowers equation indicate a weak ferromagnetic coupling with 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.



Producto de Investigación




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