Structure directing factors and photophysical properties of five Cu(I)-iodide materials with N-donor heteroaromatic ligandsStructure 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,</p><p>chloro, and methyl substituents have been synthesized to combine two structural directing factors: attractive</p><p>interactions and steric bulkiness. To this...
| Authors: | , , , , , |
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| Format: | article |
| Status: | Versión aceptada para publicación |
| Publication Date: | 2024 |
| Country: | España |
| Institution: | Universidad de Barcelona |
| Repository: | Dipòsit Digital de la UB |
| OAI Identifier: | oai:diposit.ub.edu:2445/216086 |
| Online Access: | https://hdl.handle.net/2445/216086 |
| Access Level: | Open access |
| Keyword: | Cristal·lografia Lligands Química inorgànica Polímers Química organometàl·lica Crystallography Ligands Inorganic chemistry Polymers Organometallic chemistry |
| Summary: | In this work, two families of Cu(I)-iodide complexes with N-heterocyclic donors ligands bearing amide, phenyl,</p><p>chloro, and methyl substituents have been synthesized to combine two structural directing factors: attractive</p><p>interactions and steric bulkiness. To this aim, we synthesized five Cu(I)-iodide based complexes: two 1D coordination</p><p>polymers [CuI(isn)]n (1) and {[CuI(nic)]⋅ACN}n (2), one tetrameric cubane [CuI(3-phpy)]4 (3), one</p><p>rhomboid dimer [CuI(8-ClQuin)]2 (4) and one monomer [CuI(1-CH3isoQuin)] (5). Interestingly, easy ligand</p><p>dissociation and marked distortions within the molecular structure enabled structural rearrangements between</p><p>the mentioned arrays. Then, we compiled the structures contained in this family of materials and provided a</p><p>shape map and a conversion pathway between the most similar arrays, the cubane and the staircase polymer.</p><p>Finally, the photophysical properties of 1–5 were investigated and electronic transitions were identified and</p><p>supported by DFT and TD-DFT calculations since their photophysical properties are strongly dependent on the</p><p>molecular arrangement and electronic distribution. |
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