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Pàgina inicial > Articles > Articles publicats > Structure directing factors and photophysical properties of five Cu(I)-iodide materials with N-donor heteroaromatic ligands |
Data: | 2024 |
Resum: | 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. |
Ajuts: | "la Caixa" Foundation CB615921 "la Caixa" Foundation CB616406 Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-1687 Agencia Estatal de Investigación PID2020-112715 GB-I00 |
Nota: | Altres ajuts: acords transformatius de la UAB |
Drets: | Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original. |
Llengua: | Anglès |
Document: | Article ; recerca ; Versió publicada |
Matèria: | Heteroaromatic ligands ; Cu(I) iodide ; Coordination polymers ; Tetrameric cubane ; Light emitting materials TD-DFT calculations |
Publicat a: | Journal of solid state chemistry, Vol. 333 (May 2024) , art. 124639, ISSN 1095-726X |
16 p, 7.8 MB |