Crystal structure, ferromagnetostructural behavior and evidence of cooperative Jahn-Teller interactions of the complex [CuL] CL·H<inf>2</inf>O (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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Abstract

[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. © 2002 Elsevier Science B.V. All rights reserved.
Original languageAmerican English
Pages (from-to)57-64
Number of pages50
JournalJournal of Molecular Structure
DOIs
StatePublished - 23 Jan 2002

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Peptides
Paramagnetic resonance
Copper
Crystal structure
Ligands
Ions
Helium
Carbonates
Dihedral angle
Magnetic susceptibility
Chlorides
Hydrogen bonds
Molecules
Geometry
Temperature
Direction compound

Cite this

@article{19657ccad96a4ae5accdbd8499c0af3b,
title = "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",
abstract = "[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) {\AA}, b = 17.621(5) {\AA}, c = 9.941(5) {\AA}. 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. {\circledC} 2002 Elsevier Science B.V. All rights reserved.",
author = "Ivan Garc{\'i}a-Orozco and Tapia-Benavides, {Antonio Rafael} and Cecilio Alvarez-Toledano and Toscano, {Ruben A.} and Daniel Ram{\'i}rez-Rosales and Rafael Zamorano-Ulloa and Yasmi Reyes-Ortega",
year = "2002",
month = "1",
day = "23",
doi = "10.1016/S0022-2860(01)00649-4",
language = "American English",
pages = "57--64",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

TY - JOUR

T1 - 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

AU - García-Orozco, Ivan

AU - Tapia-Benavides, Antonio Rafael

AU - Alvarez-Toledano, Cecilio

AU - Toscano, Ruben A.

AU - Ramírez-Rosales, Daniel

AU - Zamorano-Ulloa, Rafael

AU - Reyes-Ortega, Yasmi

PY - 2002/1/23

Y1 - 2002/1/23

N2 - [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. © 2002 Elsevier Science B.V. All rights reserved.

AB - [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. © 2002 Elsevier Science B.V. All rights reserved.

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U2 - 10.1016/S0022-2860(01)00649-4

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EP - 64

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

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