Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions
A couple of isostructural coordination polymers with the general formula [Ln<sub>4</sub>(pymca)<sub>4</sub>(AcO)<sub>8</sub>]<sub>n</sub> have been obtained from reactions between pyrimidine-2-carboxylate (pymca) ligand and rare-earth ions (Ln = Dy (&l...
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author | Amalia García-García Andoni Zabala-Lekuona Ainhoa Goñi-Cárdenas Javier Cepeda José M. Seco Alfonso Salinas-Castillo Duane Choquesillo-Lazarte Antonio Rodríguez-Diéguez |
author_facet | Amalia García-García Andoni Zabala-Lekuona Ainhoa Goñi-Cárdenas Javier Cepeda José M. Seco Alfonso Salinas-Castillo Duane Choquesillo-Lazarte Antonio Rodríguez-Diéguez |
author_sort | Amalia García-García |
collection | DOAJ |
description | A couple of isostructural coordination polymers with the general formula [Ln<sub>4</sub>(pymca)<sub>4</sub>(AcO)<sub>8</sub>]<sub>n</sub> have been obtained from reactions between pyrimidine-2-carboxylate (pymca) ligand and rare-earth ions (Ln = Dy (<b>1</b>), Nd (<b>2</b>)). These two-dimensional compounds have been characterized and the crystal structures have been solved by single-crystal X-ray diffraction technique, resulting in layers along the bc plane based on pymca and acetate anions that act as bridging ligands between metal atoms. Given that pymca and acetate anions possess carboxylate and hetero-nitrogen groups, it is possible to build a coordination polymer whose metal centers have a nine coordination. Furthermore, static and dynamic magnetic measurements of compound <b>1</b> reveal the lack of single molecule-magnet (SMM) behavior in this system due to the following two effects: (i) the ligand field does not stabilize magnetic ground states well separated from excited states, and (ii) anisotropy axes are not collinear, according to results with Magellan software. On another level, luminescent properties of compounds <b>1</b> and <b>2</b> are attributed to singlet π-π* transitions centered on pymca ligand as corroborated by time-dependent density functional theory (TD-DFT) calculations. |
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spelling | doaj.art-eeeedf3465b145e8b8fcf577a42168c22023-11-20T05:39:02ZengMDPI AGCrystals2073-43522020-07-0110757110.3390/cryst10070571Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide IonsAmalia García-García0Andoni Zabala-Lekuona1Ainhoa Goñi-Cárdenas2Javier Cepeda3José M. Seco4Alfonso Salinas-Castillo5Duane Choquesillo-Lazarte6Antonio Rodríguez-Diéguez7Department of Inorganic Chemistry, Faculty of Science, University of Granada, 18071 Granada, SpainDepartment of Applied Chemistry, Chemistry Faculty, University of the Basque Country (UPV/EHU), 20018 Donostia-San Sebastián, SpainDepartment of Inorganic Chemistry, Faculty of Science, University of Granada, 18071 Granada, SpainDepartment of Applied Chemistry, Chemistry Faculty, University of the Basque Country (UPV/EHU), 20018 Donostia-San Sebastián, SpainDepartment of Applied Chemistry, Chemistry Faculty, University of the Basque Country (UPV/EHU), 20018 Donostia-San Sebastián, SpainDepartment of Analytical Chemistry, Faculty of Science, University of Granada, 18071 Granada, SpainLaboratorio de Estudios Cristalográficos, IACT, CSIC-Universidad de Granada, Avda. de las Palmeras 4, 18100 Armilla, SpainDepartment of Inorganic Chemistry, Faculty of Science, University of Granada, 18071 Granada, SpainA couple of isostructural coordination polymers with the general formula [Ln<sub>4</sub>(pymca)<sub>4</sub>(AcO)<sub>8</sub>]<sub>n</sub> have been obtained from reactions between pyrimidine-2-carboxylate (pymca) ligand and rare-earth ions (Ln = Dy (<b>1</b>), Nd (<b>2</b>)). These two-dimensional compounds have been characterized and the crystal structures have been solved by single-crystal X-ray diffraction technique, resulting in layers along the bc plane based on pymca and acetate anions that act as bridging ligands between metal atoms. Given that pymca and acetate anions possess carboxylate and hetero-nitrogen groups, it is possible to build a coordination polymer whose metal centers have a nine coordination. Furthermore, static and dynamic magnetic measurements of compound <b>1</b> reveal the lack of single molecule-magnet (SMM) behavior in this system due to the following two effects: (i) the ligand field does not stabilize magnetic ground states well separated from excited states, and (ii) anisotropy axes are not collinear, according to results with Magellan software. On another level, luminescent properties of compounds <b>1</b> and <b>2</b> are attributed to singlet π-π* transitions centered on pymca ligand as corroborated by time-dependent density functional theory (TD-DFT) calculations.https://www.mdpi.com/2073-4352/10/7/571coordination polymerpyrimidine-2-carboxylatelanthanideluminescencemagnetism |
spellingShingle | Amalia García-García Andoni Zabala-Lekuona Ainhoa Goñi-Cárdenas Javier Cepeda José M. Seco Alfonso Salinas-Castillo Duane Choquesillo-Lazarte Antonio Rodríguez-Diéguez Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions Crystals coordination polymer pyrimidine-2-carboxylate lanthanide luminescence magnetism |
title | Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions |
title_full | Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions |
title_fullStr | Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions |
title_full_unstemmed | Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions |
title_short | Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions |
title_sort | magnetic and luminescent properties of isostructural 2d coordination polymers based on 2 pyrimidinecarboxylate and lanthanide ions |
topic | coordination polymer pyrimidine-2-carboxylate lanthanide luminescence magnetism |
url | https://www.mdpi.com/2073-4352/10/7/571 |
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