A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration
The present study reports on a 2D lamellar coordination polymer (CP) of {[Zn(µ<sub>3</sub>-pmdc)(H<sub>2</sub>O)]·H<sub>2</sub>O}<sub>n</sub> formula (pmdc = pyrimidine-4,6-dicarboxylate). This CP is synthesized under an appropriate acid-base reaction...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-07-01
|
| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/15/5643 |
| _version_ | 1797586375143325696 |
|---|---|
| author | Oier Pajuelo-Corral Jose Angel García Oscar Castillo Antonio Luque Claudio Mendicute-Fierro Antonio Rodríguez-Diéguez Javier Cepeda |
| author_facet | Oier Pajuelo-Corral Jose Angel García Oscar Castillo Antonio Luque Claudio Mendicute-Fierro Antonio Rodríguez-Diéguez Javier Cepeda |
| author_sort | Oier Pajuelo-Corral |
| collection | DOAJ |
| description | The present study reports on a 2D lamellar coordination polymer (CP) of {[Zn(µ<sub>3</sub>-pmdc)(H<sub>2</sub>O)]·H<sub>2</sub>O}<sub>n</sub> formula (pmdc = pyrimidine-4,6-dicarboxylate). This CP is synthesized under an appropriate acid-base reaction between the gently mortared reagents in the solid state through a solvent-free procedure that avoids the presence of concomitant byproducts. The X-ray crystal structure reveals the occurrence of Zn<sub>2</sub> entities connected through carboxylate groups of pmdc, which behave as triconnected nodes, giving rise to six-membered ring-based layers that are piled up through hydrogen bonding interactions. In addition to a routine physico-chemical characterization, the thermal evolution of the compound has been studied by combining thermogravimetric and thermodiffractometric data. The photoluminescence properties are characterized in the solid state and the processes governing the spectra are described using time-dependent density-functional theory (TD-DFT) with two different approaches employing different program packages. The emissive capacity of the material is further analyzed according to the dehydration and decreasing temperature of the polycrystalline sample. |
| first_indexed | 2024-03-11T00:21:29Z |
| format | Article |
| id | doaj.art-586b74ed3eea4defbbc811c42013e045 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T00:21:29Z |
| publishDate | 2023-07-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-586b74ed3eea4defbbc811c42013e0452023-11-18T23:16:57ZengMDPI AGMolecules1420-30492023-07-012815564310.3390/molecules28155643A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon DehydrationOier Pajuelo-Corral0Jose Angel García1Oscar Castillo2Antonio Luque3Claudio Mendicute-Fierro4Antonio Rodríguez-Diéguez5Javier Cepeda6Departamento de Química Aplicada, Facultad de Química, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), 20018 Donostia, SpainDepartamento de Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), 48940 Leioa, SpainDepartamento de Química Orgánica e Inorgánica, Facultad de Ciencia y Tecnología, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), 48940 Leioa, SpainDepartamento de Química Orgánica e Inorgánica, Facultad de Ciencia y Tecnología, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), 48940 Leioa, SpainDepartamento de Química Aplicada, Facultad de Química, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), 20018 Donostia, SpainDepartamento de Química Inorgánica, Facultad de Ciencias, Universidad de Granada, 18071 Granada, SpainDepartamento de Química Aplicada, Facultad de Química, Universidad del País Vasco/Euskal Herriko Unibertsitatea (UPV/EHU), 20018 Donostia, SpainThe present study reports on a 2D lamellar coordination polymer (CP) of {[Zn(µ<sub>3</sub>-pmdc)(H<sub>2</sub>O)]·H<sub>2</sub>O}<sub>n</sub> formula (pmdc = pyrimidine-4,6-dicarboxylate). This CP is synthesized under an appropriate acid-base reaction between the gently mortared reagents in the solid state through a solvent-free procedure that avoids the presence of concomitant byproducts. The X-ray crystal structure reveals the occurrence of Zn<sub>2</sub> entities connected through carboxylate groups of pmdc, which behave as triconnected nodes, giving rise to six-membered ring-based layers that are piled up through hydrogen bonding interactions. In addition to a routine physico-chemical characterization, the thermal evolution of the compound has been studied by combining thermogravimetric and thermodiffractometric data. The photoluminescence properties are characterized in the solid state and the processes governing the spectra are described using time-dependent density-functional theory (TD-DFT) with two different approaches employing different program packages. The emissive capacity of the material is further analyzed according to the dehydration and decreasing temperature of the polycrystalline sample.https://www.mdpi.com/1420-3049/28/15/5643zinc(II)coordination polymerlamellar structurepyrimidine-4,6-dicarboxylatephotoluminescence propertiestime-dependent density-functional theory |
| spellingShingle | Oier Pajuelo-Corral Jose Angel García Oscar Castillo Antonio Luque Claudio Mendicute-Fierro Antonio Rodríguez-Diéguez Javier Cepeda A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration Molecules zinc(II) coordination polymer lamellar structure pyrimidine-4,6-dicarboxylate photoluminescence properties time-dependent density-functional theory |
| title | A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration |
| title_full | A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration |
| title_fullStr | A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration |
| title_full_unstemmed | A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration |
| title_short | A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration |
| title_sort | lamellar zn based coordination polymer showing increasing photoluminescence upon dehydration |
| topic | zinc(II) coordination polymer lamellar structure pyrimidine-4,6-dicarboxylate photoluminescence properties time-dependent density-functional theory |
| url | https://www.mdpi.com/1420-3049/28/15/5643 |
| work_keys_str_mv | AT oierpajuelocorral alamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT joseangelgarcia alamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT oscarcastillo alamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT antonioluque alamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT claudiomendicutefierro alamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT antoniorodriguezdieguez alamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT javiercepeda alamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT oierpajuelocorral lamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT joseangelgarcia lamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT oscarcastillo lamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT antonioluque lamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT claudiomendicutefierro lamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT antoniorodriguezdieguez lamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration AT javiercepeda lamellarznbasedcoordinationpolymershowingincreasingphotoluminescenceupondehydration |