Hyperpolarized Nuclear Magnetic Resonance
Lead Research Organisation:
University of Southampton
Department Name: Sch of Chemistry
Abstract
The project involves the theory, development and application of hyperpolarized nuclear magnetic resonance spectroscopy. Theoretical and numerical tools will be developed to understand and predict the behaviour of nuclear spin systems which are far from equilibrium, including hyperpolarized nuclear spin systems. Equipment will be designed and constructed for generating samples in non-equilibrium spin states and for subjecting them to chemical and physical manipulations including some of the following: transport, phase changes, temperature changes, dissolution, and chemical reactions. Methods will be developed and demonstrated for applications of materials in non-equilibrium spin states to chemical, biochemical and/or physical problems.
Organisations
- University of Southampton (Lead Research Organisation)
- National institute of Chemical Physics, Tallinn (Collaboration)
- Max Planck Society (Collaboration)
- Jagiellonian University (Collaboration)
- University of Basel (Collaboration)
- National Institute of Chemical Physics and Biophysics (Collaboration)
- Institute of Electronics Microelectronics and Nanotechnology (Collaboration)
- Institut Laue–Langevin (Collaboration)
- Russian Academy of Sciences (Collaboration)
Publications
Bacanu GR
(2020)
An Internuclear J-Coupling of 3He Induced by Molecular Confinement.
in Journal of the American Chemical Society
Bacanu GR
(2020)
Fine structure in the solution state 13C-NMR spectrum of C60 and its endofullerene derivatives.
in Physical chemistry chemical physics : PCCP
Bacanu GR
(2020)
Fine structure in the solution state 13C-NMR spectrum of C60 and its endofullerene derivatives.
in Physical chemistry chemical physics : PCCP
Bloodworth S
(2020)
Synthesis of Ar@C60 using molecular surgery.
in Chemical communications (Cambridge, England)
Bloodworth S
(2019)
First Synthesis and Characterization of CH 4 @C 60
in Angewandte Chemie
Bloodworth S
(2019)
First Synthesis and Characterization of CH4 @C60.
in Angewandte Chemie (International ed. in English)
Hoffman G
(2021)
A Solid-State Intramolecular Wittig Reaction Enables Efficient Synthesis of Endofullerenes Including Ne@C60 , 3 He@C60 , and HD@C60.
in Angewandte Chemie (International ed. in English)
Studentship Projects
| Project Reference | Relationship | Related To | Start | End | Student Name |
|---|---|---|---|---|---|
| EP/N509747/1 | 30/09/2016 | 29/09/2021 | |||
| 1934785 | Studentship | EP/N509747/1 | 30/09/2017 | 30/03/2021 | George Bacanu |
| Description | Physico chemical properties of non chemically bonded (non-covalent) molecular complexes, atoms/molecules enclosed in carbon cages: - NMR Properties of methane enclosed in a (C60) carbon cage. - Carbon-carbon NMR parameters (13C-13C isotope shifts) for carbon fullerene cages. - Pressure of a single atom/molecule when enclosed in a (C60) carbon cage. - Observation of textbook "particle in a box" system. Particle being a noble gas inside a (C60) carbon cage acting as the box. Measured by inelastic neutron scattering. - Observation (far) Infra Red spectra of noble gases enclosed inside a (C60) carbon cage. - Novel NMR parameter (J-coupling) between non chemically bonded (non-covalent) molecular complexes. J-coupling between 3Helium-13Carbon, which also constitutes the first J-coupling for 3Helium. |
| Exploitation Route | As part of fundamental scientific background for any investigations/applications involving: - Atomic/molecular confinement. - Non-bonded (non-covalent) interactions. - Infra Red and neutron scattering spectroscopy of (confined) molecules and noble gases. - NMR of non-bonded molecular complexes and NMR of carbon materials. |
| Sectors | Chemicals Education Pharmaceuticals and Medical Biotechnology Other |
| Description | Endofullerenes as laser materials |
| Organisation | Institute of Electronics Microelectronics and Nanotechnology |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Materials, theory, concepts |
| Collaborator Contribution | Experiments, concepts, materials |
| Impact | none yet |
| Start Year | 2019 |
| Description | High-pressure NMR |
| Organisation | University of Basel |
| Department | Biozentrum Basel |
| Country | Switzerland |
| Sector | Academic/University |
| PI Contribution | Samples, principles, concepts, theory |
| Collaborator Contribution | Measurements, access to equipment |
| Impact | ongoing |
| Start Year | 2019 |
| Description | Hyperpolarized 3He NMR |
| Organisation | Jagiellonian University |
| Country | Poland |
| Sector | Academic/University |
| PI Contribution | samples, background knowledge, ideas |
| Collaborator Contribution | 3He NMR and MRI |
| Impact | none yet |
| Start Year | 2018 |
| Description | Infrared and THz spectroscopy of endofullerenes |
| Organisation | Institute of Electronics Microelectronics and Nanotechnology |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Provision of samples, theory, numerical simulations |
| Collaborator Contribution | Terahertz and infrared spectroscopy, and their interpretation |
| Impact | Numerous outputs listed under associated grants in ResearchFish |
| Start Year | 2015 |
| Description | Infrared and THz spectroscopy of endofullerenes |
| Organisation | Max Planck Society |
| Department | Fritz Haber Institute |
| Country | Germany |
| Sector | Academic/University |
| PI Contribution | Provision of samples, theory, numerical simulations |
| Collaborator Contribution | Terahertz and infrared spectroscopy, and their interpretation |
| Impact | Numerous outputs listed under associated grants in ResearchFish |
| Start Year | 2015 |
| Description | Infrared and THz spectroscopy of endofullerenes |
| Organisation | National Institute of Chemical Physics and Biophysics |
| Country | Estonia |
| Sector | Academic/University |
| PI Contribution | Provision of samples, theory, numerical simulations |
| Collaborator Contribution | Terahertz and infrared spectroscopy, and their interpretation |
| Impact | Numerous outputs listed under associated grants in ResearchFish |
| Start Year | 2015 |
| Description | Neutron scattering of endofullerenes |
| Organisation | Institut Laue–Langevin |
| Country | France |
| Sector | Academic/University |
| PI Contribution | Provision of samples, concepts, and theoretical expertise |
| Collaborator Contribution | PhD studentship; instrument time; expert help; accommodation and substistence |
| Impact | Numerous publications; listed under associated grants in` ResearchFish. |
| Start Year | 2015 |
| Description | Theory and investigations of nuclear spin isomer conversion (especially in water) |
| Organisation | National institute of Chemical Physics, Tallinn |
| Country | Estonia |
| Sector | Academic/University |
| PI Contribution | Experimental results, theory |
| Collaborator Contribution | Theory, interpretation |
| Impact | none yet |
| Start Year | 2019 |
| Description | Theory and investigations of nuclear spin isomer conversion (especially in water) |
| Organisation | Russian Academy of Sciences |
| Country | Russian Federation |
| Sector | Public |
| PI Contribution | Experimental results, theory |
| Collaborator Contribution | Theory, interpretation |
| Impact | none yet |
| Start Year | 2019 |