RT Journal Article
T1 H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ4-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate
A1 Belmont Sánchez, Jeannette Carolina
A1 García Rubiño, María Eugenia
A1 Frontera, Antonio
A1 González Pérez, Josefa María
A1 Castiñeiras Campos, Alfonso
A1 Niclós Gutiérrez, Juan
K1 Crystal structure
K1 Copper(II)
K1 EDTA
K1 Imidazole
K1 Polymer
K1 H-bonding
K1 π–π stacking
K1 Water O-H/π interaction
AB We synthesized and studied the polymeric compound {[Cu2(µ4-EDTA)(Him)2] 2H2O}n (1). The single-crystal structure is reported along with an in depth characterization of its thermal stability (TGA), spectral properties (FT-IR, Vis-UV and RSE), and magnetic behavior. The crystal consists of infinite 2D-networks built by centrosymmetric dinuclear motifs, constructed by means of a bridging anti,syn-carboxylate group from each asymmetric unit. Each layer guides Him ligands toward their external faces. They are connected by intermolecular (Him)N-H···O(carboxylate) bonds and antiparallel π–π stacking between symmetry related pairs of Him ligands, and then pillared in a 3D-network with parallel channels, where disordered water molecules are guested. About half of the labile water is lost from these channels over a wide temperature range (r.t. to 210 °C) before the other one, most strongly retained by the cooperating action of (water)O1-H(1A)···O(carboxylate) and (water) O1-H(1B)···π(Him) interactions. The latter is lost when organic ligands start to burn. ESR spectra and magnetic measurements indicated that symmetry related Cu(II) centers connected by the bridging carboxylate groups behave magnetically not equivalently, enabling an exchange interaction larger than their individual Zeeman energies
PB MDPI
YR 2021
FD 2021
LK http://hdl.handle.net/10347/24473
UL http://hdl.handle.net/10347/24473
LA eng
NO Crystals 2021, 11(1), 48; https://doi.org/10.3390/cryst11010048
NO MICINN of Spain (project PGC2018-102047-B-I00), MICIU/AEI of Spain (project CTQ2017-85821-R FEDER) and the Research groups FQM-283 and FQM-243 (Junta de Andalucía, Spain)
DS Minerva
RD 4 may 2026