Sánchez-Férez, FranciscoSolans-Monfort, XavierRodríguez-Santiago, LuisCalvet Pallàs, Maria TeresaFont Bardia, Ma. MercedesPons, Josefina2024-10-282024-10-282024-020022-4596https://hdl.handle.net/2445/216086In 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.16 p.application/pdfengcc-by (c) The Author(s), 2024http://creativecommons.org/licenses/by/3.0/es/Cristal·lografiaLligandsQuímica inorgànicaPolímersQuímica organometàl·licaCrystallographyLigandsInorganic chemistryPolymersOrganometallic chemistryinfo:eu-repo/semantics/article7512762024-10-28info:eu-repo/semantics/openAccess