Objective
This project aims to study the structure, dynamics, and reactivity of prominent alkali and alkaline-earth organometallics species by ab initio and multi-scale computational approaches. Main group organometallic compounds are cheap and mostly non-toxic; therefore, they are appealing to industrial processes and are employed today in an ever-growing list of reactions, including drug synthesis or fertilizer manufacturing. In fact, little is known about their molecular structures in solution and the mechanisms by which they react, hampering the development of more efficient reagents or experimental conditions. This is due to their highly fluxional nature, yielding a diversity of structures in fast equilibria controlled by the solvent. Ab initio molecular dynamics offers the best way to investigate these systems, as demonstrated by recent studies unveiling the structure of a pure Grignard reagent and its reaction with carbonyl substrates in a THF solution (Peltzer et al, JACS 2020). This project expands the horizon over considerably more challenging and intriguing members of the Grignard family, formed by mixing metals species or solvents, which show unexplained synergistic effects on reactivity and selectivity. First, the project will characterize the structures and reactivity (Mg-C bond formation) of mixed Mg/Li turbo-Grignard and turbo-Hauser reagents in solvent. Then, attention will be drawn on the recently discovered remarkable synergy produced by running the Grignard reaction in non-miscible mixture of organic and green deep eutectic solvents. By understanding the role of the mixed solvents for these reactions, the project aims to open the route for the design of cheaper and environmentally friendly experimental conditions. The project, carried out in collaboration with an international experimental leader will have a great positive impact on the applicant's career identifying him as one of the key players in the development of green efficient main group chemistry.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA)
MAIN PROGRAMME
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Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships
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Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) HORIZON-MSCA-2021-PF-01
See all projects funded under this callCoordinator
Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
0313 Oslo
Norway
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.