Project description
Bridging the gap between the theoretical understanding of propellanes and their real-life applications
Propellanes are polycyclic hydrocarbons in which three rings of carbon atoms skeleton share a common carbon-carbon covalent bond. They are the precursors to bicyclo[1.1.1]pentanes which are valuable cage molecules in pharmaceutical and materials research. The smaller-ring propellanes display reactivity towards anions, radicals and cations, based on their ability to delocalise electron density away from the electron-rich central C–C bond onto the peripheral carbon atom p orbitals both in the ground state and during reactions. The EU-funded NewPropChem project aims to test this model, characterise the change in structure and electronics during ring-opening processes and explore propellane reactivity applying novel catalytic concepts to activate the central C–C bond.
Objective
Propellanes are molecules of high importance as precursors to valuable cage molecules in pharmaceutical and materials research. For smaller-ring propellanes, ubiquitous reactivity can be displayed towards anions, radicals, and cations; however, the theoretical basis for this unusual behaviour has only recently emerged, which is based on the ability of small ring propellanes to delocalise electron density away from the electron-rich central C–C bond onto the peripheral carbon atom p orbitals both in the ground state, and during reactions. In this project we develop chemical tools to test this theoretical model, offering experimental support and characterising the change in structure and electronics during ring opening processes. We further develop new synthetic methodology to access high-value (but hard to access) chiral propellane ring-opening products, and explore new modes of propellane reactivity by employing novel catalytic concepts to activate the central C–C bond. We use a theoretical 'carbene' description of [1.1.1]propellane to open up access to bridge-substituted propellanes, which represent a 'holy grail' of the field, and also explore methods to control the dimerisation or oligomerisation of these molecules. Collectively, using the most up to date theoretical models (and in collaboration with theoretical chemists) we aim to develop a new frontier of propellane chemistry, which has the potential for broad impact on its many applications.
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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H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions
MAIN PROGRAMME
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H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility
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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.
MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF)
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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) H2020-MSCA-IF-2020
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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.
OX1 2JD Oxford
United Kingdom
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.