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Structural Transformations in the Thermal Dehydration of [Cu2(bpa)(btec)(H2O)4]n Coordination Polymer

Departamento de Mineralogía y Petrología, Facultad de Ciencia y Tecnología, Universidad del País Vasco, UPV/EHU, Sarriena s/n, 48940 Leioa, Spain
Departamento de Química Inorgánica, Facultad de Ciencia y Tecnología, Universidad del País Vasco, UPV/EHU, Sarriena s/n, 48940 Leioa, Spain
BCMaterials, Basque Center for Materials, Applications and Nanostructures, Edf. Martina Casiano, UPV/EHU Science Park, 48940 Leioa, Spain
Authors to whom correspondence should be addressed.
Academic Editor: M.-H. Whangbo
Molecules 2019, 24(9), 1840;
Received: 17 April 2019 / Revised: 3 May 2019 / Accepted: 11 May 2019 / Published: 13 May 2019
(This article belongs to the Special Issue Functional Metal-Organic Framework Based Materials)
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Reactions between pyridinic ligands such as 1,2-bis(4-pyridyl)ethane (bpa) and transition metal cations are a very widespread technique to produce extended coordination polymers such as Metal-Organic Frameworks. In combination with a second ligand these systems could present different topologies and behaviors. In this context, the use of 1,2,4,5-benzenetetracarboxylic acid (H4btec) gave us a novel 2D compound, [Cu2(bpa)(btec)(H2O)4]n (1), which was prepared by microwave-assisted synthesis and structurally characterized by means of single crystal X-ray diffraction. Its thermal behavior was analyzed through thermogravimetric analysis and variable temperature powder X-ray diffraction, concluding that thermal stability is influenced by the coordination water molecules, allowing two sequential thermochromic phase transformations to take place. These transformations were monitored by electronic paramagnetic resonance spectroscopy and magnetic susceptibility measurements. In addition, the crystal structure of the anhydrous compound [Cu2(bpa)(btec)]n (1.ah) was determined. Finally, a topological study was carried out for the bpa ligand considering all the structures deposited in the Cambridge Structural Databased. More than 1000 structures were analyzed and classified into 17 different topologies, according to the role of the ligand. View Full-Text
Keywords: crystal structure; topological study; 1,2-Bis(4-pyridyl)ethane; thermochromism crystal structure; topological study; 1,2-Bis(4-pyridyl)ethane; thermochromism

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Bravo-García, L.; Larrea, E.S.; Artetxe, B.; Lezama, L.; Gutiérrez-Zorrilla, J.M.; Arriortua, M.I. Structural Transformations in the Thermal Dehydration of [Cu2(bpa)(btec)(H2O)4]n Coordination Polymer. Molecules 2019, 24, 1840.

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