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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Calvet, Teresa
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Topics
Publications (7/7 displayed)
- 2020Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halidescitations
- 2020Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halidescitations
- 2020Construction of Zn(II) Linear Trinuclear Secondary Building Units from A Coordination Polymer Based on α-Acetamidocinnamic Acid and 4-Phenylpyridinecitations
- 2016Synthesis and characterization of Pd(II), Pt(II), Cu(I), Ag(I) and Cu(II) complexes with N,O-hybrid pyrazole ligandcitations
- 2015New binuclear copper(ii) coordination polymer based on mixed pyrazolic and oxalate ligands : Structural characterization and mechanical propertiescitations
- 2010Synthesis, X-ray crystal structure and NMR characterisation of mononuclear Pd(II) and Pt(II) complexes of didentate ligands with NN′-donor setcitations
- 2007Polymorphism of even saturated carboxylic acids from n-decanoic to n-eicosanoic acidcitations
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article
Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides
Abstract
<p>Understanding the structure and arrangement of hybrid metal halides and their contribution to the optoelectronic properties is, thus far, a challenging topic. In particular, new materials composed of d10 metal halides and pyridinium cations are still largely unexplored. Therefore, we report the synthesis and characterization of six Hg(II) salts built up from (Hg2Cl6)2- or (HgX4)2- anions (X = Cl, Br, I) and 2,2′-bipyridium (2,2′-Hbipy)+, 2,2′-bipyridine-1,1′-diium (2,2′-H2bipy)2+, or 1,10-phenantrolinium (1,10-Hphen)+ cations, using the same experimental conditions. All of them have been characterized by PXRD, EA, FTIR-ATR, and 1H NMR spectroscopies; single-crystal X-ray diffraction; and TG/DTA determinations. The study of their packing via Hirshfeld surface analysis and 3D deformation density mapping revealed the contributions of the intermolecular interactions to the structural arrangement, notably, the effect of the cation planarity on them. Successively, periodic DFT calculations showed that (i) the valence and conducting bands are mainly composed of the p orbitals of the halide and the organic cation, respectively, and (ii) the corresponding band gap depends mainly on the halide. </p>