Objective
Azoles are five-member aromatic heterocycles with at least two heteroatoms. They can be used as ligands toward different metal ions, forming metal azolates. They often are bidentate ligands, thus allowing bridging two metal centres. Although the chemistry of some metal azolates is well documented, with applications as catalysts, dyes, or medicines, recent studies have revealed that our knowledge in this field of chemistry is still limited. Data concerning more complex metal derivatives, including heterometallic species are scarce.
The main idea of the project is to apply the strategy of _synthesis of new compounds with specific physico-chemical properties" to a class of ligands the azoles and their metal derivatives whose applications in materials science and catalysis have been considered only recently. Applications in view are uses as catalysts, liquid crystals, luminescent materials, or precursors for thin film materials.
Three major objectives concern:
(1) the synthesis of new types of azoles (such as acylpyrazolones, polyazolylalkanes, polyazolylarenes, bis- and trisazolylborates);
(2) the synthesis of their metal derivatives (including heterobimetallic ones), with the full characterization of the compounds obtained as well as;
(3) the study of properties (catalytic activity, volatility, electroluminescence, conductivity as the case may be).
The research activity will be divided into two main parts:
Part I From ligands to metal complexes
This part includes:
- the synthesis of new azoles (azoles with specific substituents, polyazoles, polyazolylalkanes, polyazolylarenes, polyazolylborates, heterocyclic b-diketones and bis-b-diketones) and their metal derivatives (monometallic and heterometallic);
- the characterization of the compounds obtained (different spectroscopic methods, magnetic, conductivity and luminescence measurements, molecular weight determination, mass-spectrometry, crystal structure determination);
- the validation of the complexes for different uses according to their abilities, either as potential catalysts in a number of homogeneous liquid-phase reactions (water-gas shift reaction, oligomerization, hydrogenation, hydroformylation, oxidation), or as liquid crystals, or as luminescent materials, or as conducting materials or as precursors for chemical vapour deposition (CVD) of inorganic materials;
Part II From syntheses of metal complexes to applications
This part includes investigations in the following fields:
- activation of small molecules (H2, CH4) by metal azolates in model catalytic reactions;
- catalytic activity of the catalysts prepared;
- properties of liquid crystals made of metal azolates;
- thermal behaviours and mechanisms of thermal decomposition for volatile complexes;
- CVD preparation and characterization of thin film materials from precursors validated for CVD.
The six teams involved in the project have a thorough experience either in the chemistry of azoles and metal azolates or in one of the potential application fields of these compounds. Complementary know-how makes possible to combine in one project synthesis of new metal complexes (as well as new ligands), and ensuing preparation and characterization of new catalysts, liquid crystals, luminiscent and electroconducting materials and precursors for the growth of thin film materials by CVD. The established scientific contacts and mutual understanding between the teams will result in the thorough investigation of the chemistry and applications of metal azolates.
Expected results include the synthesis of a large number of new compounds with specific properties and their successful uses, the ones as catalysts, the other ones as liquid crystals, or as luminescent or electroconducting molecular materials, or as metal-organic precursors for the MOCVD preparation of thin film materials. For the MOCVD process, promising precursors for oxide-free films are expected. Concerning catalysis, an additional task will be to relate the observed mechanisms with model reactions of different types.
Fields of science (EuroSciVoc)
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Coordinator
62032 Camerino
Italy
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