An unexpected carboxylato-bridged-only hexanuclear copper compound

The reaction of copper acetate with 3,4,5-tri(ethoxy)benzoic acid leads to the formation of dodecakis((μ-(3,4,5-tri(ethoxy))benzoato- κ 2 O:O′)-hexa(copper(II)), [Cu 6 (O 2 C≡C 6 H 2 (OCH 2 CH 3 ) 3 ) 12 ]. The new compound crystallizes in the triclinic system, space group P1̄ with Z = 2, solvated b...

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Autores principales: Castro, M.A., Rusjan, M., Vega, D., Peña, O., Weyhermüller, T., Cukiernik, F.D., Slep, L.D.
Formato: JOUR
Materias:
Broken symmetry
Copper carboxylates
Metal clusters
Molecular magnetism
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00201693_v374_n1_p499_Castro
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_00201693_v374_n1_p499_Castro2023-10-03T14:17:22Z An unexpected carboxylato-bridged-only hexanuclear copper compound Castro, M.A. Rusjan, M. Vega, D. Peña, O. Weyhermüller, T. Cukiernik, F.D. Slep, L.D. Broken symmetry Copper carboxylates Metal clusters Molecular magnetism The reaction of copper acetate with 3,4,5-tri(ethoxy)benzoic acid leads to the formation of dodecakis((μ-(3,4,5-tri(ethoxy))benzoato- κ 2 O:O′)-hexa(copper(II)), [Cu 6 (O 2 C≡C 6 H 2 (OCH 2 CH 3 ) 3 ) 12 ]. The new compound crystallizes in the triclinic system, space group P1̄ with Z = 2, solvated by disordered cyclohexane molecules. The Cu(II) ions are placed in O 5 pentacoordinated environments provided by four carboxylate oxygen atoms in a pseudo square planar arrangement and a fifth oxygen atom that belongs to a more distant carboxylate group in the axial position. The Cu(II) centers occupy the corners of a trigonal antiprism. A carboxylato network links each copper center with other four, providing potential paths for exchange coupling between the Cu(II) centers. Variable temperature magnetic susceptibility measurements show a maximum at 8 K. An analysis based on the spin-Hamiltonian formalism and DFT-based broken symmetry computations provides insight into the magnetic exchange interactions between the metal centers. © 2011 Elsevier B.V. All rights reserved. Fil:Castro, M.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Rusjan, M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Vega, D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Cukiernik, F.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Slep, L.D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00201693_v374_n1_p499_Castro
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Broken symmetry
Copper carboxylates
Metal clusters
Molecular magnetism
spellingShingle Broken symmetry
Copper carboxylates
Metal clusters
Molecular magnetism
Castro, M.A.
Rusjan, M.
Vega, D.
Peña, O.
Weyhermüller, T.
Cukiernik, F.D.
Slep, L.D.
An unexpected carboxylato-bridged-only hexanuclear copper compound
topic_facet Broken symmetry
Copper carboxylates
Metal clusters
Molecular magnetism
description The reaction of copper acetate with 3,4,5-tri(ethoxy)benzoic acid leads to the formation of dodecakis((μ-(3,4,5-tri(ethoxy))benzoato- κ 2 O:O′)-hexa(copper(II)), [Cu 6 (O 2 C≡C 6 H 2 (OCH 2 CH 3 ) 3 ) 12 ]. The new compound crystallizes in the triclinic system, space group P1̄ with Z = 2, solvated by disordered cyclohexane molecules. The Cu(II) ions are placed in O 5 pentacoordinated environments provided by four carboxylate oxygen atoms in a pseudo square planar arrangement and a fifth oxygen atom that belongs to a more distant carboxylate group in the axial position. The Cu(II) centers occupy the corners of a trigonal antiprism. A carboxylato network links each copper center with other four, providing potential paths for exchange coupling between the Cu(II) centers. Variable temperature magnetic susceptibility measurements show a maximum at 8 K. An analysis based on the spin-Hamiltonian formalism and DFT-based broken symmetry computations provides insight into the magnetic exchange interactions between the metal centers. © 2011 Elsevier B.V. All rights reserved.
format JOUR
author Castro, M.A.
Rusjan, M.
Vega, D.
Peña, O.
Weyhermüller, T.
Cukiernik, F.D.
Slep, L.D.
author_facet Castro, M.A.
Rusjan, M.
Vega, D.
Peña, O.
Weyhermüller, T.
Cukiernik, F.D.
Slep, L.D.
author_sort Castro, M.A.
title An unexpected carboxylato-bridged-only hexanuclear copper compound
title_short An unexpected carboxylato-bridged-only hexanuclear copper compound
title_full An unexpected carboxylato-bridged-only hexanuclear copper compound
title_fullStr An unexpected carboxylato-bridged-only hexanuclear copper compound
title_full_unstemmed An unexpected carboxylato-bridged-only hexanuclear copper compound
title_sort unexpected carboxylato-bridged-only hexanuclear copper compound
url http://hdl.handle.net/20.500.12110/paper_00201693_v374_n1_p499_Castro
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