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Journal Articles Inorganic Chemistry Year : 2023

Cubane Dimerization: Cu4 vs Cu8 Copper Iodide Clusters


Copper(I) halides are well-known for their structural diversity and rich photoluminescence properties, showing great potential the development of solid-state lighting technology. A series four molecular copper iodide clusters based on [Cu4I4] cubane geometry is reported. Among them, [Cu8I8] octanuclear rare resulting from dimerization tetranuclear counterparts were also synthesized. Two different phosphine ligands studied, bearing either a styrene or an ethyl group. Therefore, effect ligand nature photophysical properties investigated. The differences analyzed by single-crystal X-ray diffraction (SCXRD), nuclear magnetic resonance (NMR), infrared, Raman analyses. Compared to group, function appears greatly impact clusters. luminescence thermochromic derivatives intriguing with rationalized density functional theory (DFT) calculations. Thus, group significantly lowers in energy vacant orbitals consequently affects global energetic layout From this study, it was found that nuclearity eventually has less influence than ligand. design proper should therefore be considered when developing materials specific applications.
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hal-04262684 , version 1 (30-11-2023)



Raquel Utrera Melero, Marie Cordier, Florian Massuyeau, Jean-Yves Mevellec, Aydar Rakhmatullin, et al.. Cubane Dimerization: Cu4 vs Cu8 Copper Iodide Clusters. Inorganic Chemistry, 2023, 62 (44), pp.18157. ⟨10.1021/acs.inorgchem.3c02634⟩. ⟨hal-04262684⟩
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