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Magnetochemistry 2018, 4(2), 24; https://doi.org/10.3390/magnetochemistry4020024

Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties

1
Departament de Química, Universitat de les Illes Balears, Ctra. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain
2
Department of Inorganic and Organic Chemistry, University of Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain
3
Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus Universitat Autònoma de Barcelona, 08193 Cerdanyola, Spain
*
Author to whom correspondence should be addressed.
Received: 8 May 2018 / Revised: 17 May 2018 / Accepted: 19 May 2018 / Published: 23 May 2018
(This article belongs to the Special Issue A Themed Issue in Honor of Late Professor Samiran Mitra)
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Abstract

Three new dinuclear copper(II) complexes [Cu2(μ–HLn)2(μ-Cl)2Cl2]Cl2 (13) have been synthesized and structurally characterized by single-crystal X-ray diffraction, where HLx, (HL1 = N6-propyladeninium, HL2 = N6-butyladeninium and HL3 = N6-isobutyladeninium) are N6-alkyl bidentate NN donor adenine bases. Complexes 13 exhibit a coplanar arrangement of both N6-alkyladeninium moieties with UD conformation, with the terms U(up) or D(down) referring to the coordination of each pyrimidinic N3 atoms to the upper or lower metal center. In the three complexes, both copper atoms are five-coordinated (N2Cl3 donor set), resembling a compressed trigonal bipyramid. Each adenine moiety is protonated in N1 and the positive charge balanced by chloride counterions. Magnetic measurements of complexes 1 and 3 in the 2–300 K temperature range indicate antiferromagnetic coupling with J = −156.1(7) and J = −151(2) cm−1, respectively. Density functional theory calculations have also been performed in order to estimate the exchange coupling constants in these complexes. The theoretically calculated J values are in good agreement with the experimental values. View Full-Text
Keywords: Cu(II) complexes; N6-alkyladenine ligand; antiferromagnetic coupling; DFT calculations Cu(II) complexes; N6-alkyladenine ligand; antiferromagnetic coupling; DFT calculations
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Martínez, M.S.; Bauzá, A.; Caubet, A.; García-Raso, Á.; Terrón, Á.; Fiol, J.J.; Molins, E.; Barceló-Oliver, M.; Frontera, A. Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties. Magnetochemistry 2018, 4, 24.

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