Structure directing factors and photophysical properties of five Cu(I)-iodide materials with N-donor heteroaromatic ligands
In this work, two families of Cu(I)-iodide complexes with N-heterocyclic donors ligands bearing amide, phenyl, chloro, and methyl substituents have been synthesized to combine two structural directing factors: attractive interactions and steric bulkiness. To this aim, we synthesized five Cu(I)-iodid...
| Autores: | , , , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2024 |
| País: | España |
| Institución: | Universitat Autònoma de Barcelona |
| Repositorio: | Dipòsit Digital de Documents de la UAB |
| Idioma: | inglés |
| OAI Identifier: | oai:ddd.uab.cat:290755 |
| Acceso en línea: | https://ddd.uab.cat/record/290755 https://dx.doi.org/urn:doi:10.1016/j.jssc.2024.124639 |
| Access Level: | acceso abierto |
| Palabra clave: | Heteroaromatic ligands Cu(I) iodide Coordination polymers Tetrameric cubane Light emitting materials TD-DFT calculations |
| Sumario: | In this work, two families of Cu(I)-iodide complexes with N-heterocyclic donors ligands bearing amide, phenyl, chloro, and methyl substituents have been synthesized to combine two structural directing factors: attractive interactions and steric bulkiness. To this aim, we synthesized five Cu(I)-iodide based complexes: two 1D coordination polymers [CuI(isn)] (1) and {[CuI(nic)]·ACN} (2), one tetrameric cubane [CuI(3-phpy)] (3), one rhomboid dimer [CuI(8-ClQuin)] (4) and one monomer [CuI(1-CHisoQuin)] (5). Interestingly, easy ligand dissociation and marked distortions within the molecular structure enabled structural rearrangements between the mentioned arrays. Then, we compiled the structures contained in this family of materials and provided a shape map and a conversion pathway between the most similar arrays, the cubane and the staircase polymer. Finally, the photophysical properties of 1-5 were investigated and electronic transitions were identified and supported by DFT and TD-DFT calculations since their photophysical properties are strongly dependent on the molecular arrangement and electronic distribution. |
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