The Structural Diversity Triggered by Intermolecular Interactions between AuIS2 Groups: Aurophilia and Beyond |
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Authors: | Mohammad‐Reza Azani Dr Oscar Castillo Dr M Luz Gallego Dr Teodor Parella Dr Gabriel Aullón Dr Olga Crespo Prof?Dr Antonio Laguna Prof?Dr Santiago Alvarez Dr Rubén Mas‐Ballesté Dr Félix Zamora |
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Institution: | 1. Departamento de Química Inorgánica, Universidad Autónoma de Madrid, 28049 Madrid (Spain) http://www.nanomater.es;2. Departamento de Química Inorgánica, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apartado 644, 48080 Bilbao (Spain);3. Servei de Ressonància Magnética Nuclear, Universitat Autónoma de Barcelona, 08193 Bellaterra (Spain);4. Departament de Química Inorgànica and Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franquès 1‐11, 08028 Barcelona (Spain);5. Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH). Universidad de Zaragoza‐CSIC, Pedro Cerbuna 12, 50009, Zaragoza, (Spain) |
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Abstract: | The present study is aimed at elucidating the factors that direct the assembly of a specific family of AuI species. The assembly of AuI centers and dithiocarboxylato or xanthato ligands results in a surprising structural diversity observed by single‐crystal X‐ray diffraction. However, in solution, just evidences for discrete bimetallic Au2L2] species have been observed. Interestingly, when dithiocarboxylato ligands have been used, a reversible supramolecular assembly has been observed forming the supramolecules of formulae Au2L2]2 and Au2L2]3. Initial studies on luminescent properties have been carried out at variable temperature. All the compounds show red emissions in the solid state at very similar energies, suggesting that the intramolecular interactions play a more relevant role in the luminescent properties than the intermolecular ones. The computational studies indicate that not only Au???Au interactions, but also Au???S and S???S ones play a role in the structure and energetic of the supramolecular species, as well as for the choice between supramolecular association or intramolecular oligomerization. |
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Keywords: | aurophlicity density functional calculations luminescence polymers supramolecular chemistry |
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