Shapeshifting Molecular Materials

Lead Research Organisation: University of York
Department Name: Chemistry

Abstract

This research will investigate the properties of 'shapeshifting molecules' - single molecules that rapidly rearrange their structures. As an analogy, these molecular rearrangements can be likened to twisting a Rubik's cubes in different dimensions. After each 'twist' occurs, the next 'twist' can occur in any of three dimensions. As a result, the structure can very quickly 'scramble' between thousands of possibilities, each with subtly different shapes.

We hypothesise that the unusual shapeshifting rearrangements of these molecules will give rise to unique materials properties. To investigate this idea, we will synthesise liquid crystals, surfactants, and polymers containing shapeshifting units. By analysing these materials, we will determine if the shape changing at the molecular level leads to dynamic shapes at larger length scales.

By the end of the grant, we will have established whether shapeshifting units have potential to be exploited in soft materials. These fundamental, chemical advances will establish a new research area that will have broad impacts in materials physics and engineering.

Publications

10 25 50
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Hussein B (2024) Correlated shapeshifting and configurational isomerization in Chemical Science

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Ives RA (2024) A guide to bullvalene stereodynamics. in Chemical science

Related Projects

Project Reference Relationship Related To Start End Award Value
EP/V047817/1 30/06/2021 31/12/2022 £202,277
EP/V047817/2 Transfer EP/V047817/1 01/01/2023 29/06/2023 £27,736
 
Description When a carbon atom forms four bonds to different groups, the molecule can exist in two mirror image forms. These mirror image forms are vital in medicine because they have different biological activities. Usually, it is impossible to interconvert between these 'enantiomers' because to do so would require a bond to be broken, a process that needs too much energy. Our team demonstrated that if the chiral centre was part of a dynamic molecular cage structure, then a simple rearrangement of the cage could lead to inversion of the mirror image form of the molecule. In this way, carbon-based stereochemistry, which is normally considered to be fixed and rigid, became dynamic, fluxional and responsive - a new paradigm in carbon-centred chirality.
Exploitation Route In due course this intriguing bonding concept may be found to apply in other contexts, such as the interactions of small moelcules with the chiral binding pockets of proteins, and potentially be used to underpin new applications for more dynamic molecular materials.
Sectors Chemicals

Pharmaceuticals and Medical Biotechnology

 
Description Fluxionality-Induced Enantiomerisation in Ligand Design
Amount £1,740,139 (GBP)
Funding ID EP/Z00036X/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 09/2024 
End 09/2029