Molecular Endofullerenes: Nanoscale dipoles, rotors and oscillators
Lead Research Organisation:
University of Southampton
Department Name: Sch of Chemistry
Abstract
Fullerenes are football-shaped cages of carbon atoms, for the discovery of which the British scientist Harry Kroto won the Nobel prize in 1996. Inside the cage is an empty space. Chemists and physicists have found many ingenious ways of trapping atoms or molecules inside the tiny fullerene cages. These encapsulated compounds are called endofullerenes.
A remarkable method was pioneered by the Japanese scientists Komatsu and Murata, one of whom is a project partner on the current proposal. They performed "molecular surgery". First, a series of chemical reactions was used to open a hole in the fullerene cages. A small molecule such as water (H2O) was then inserted into each fullerene cage by using high temperature and pressure. Finally, a further series of chemical reactions was used to "sew" the holes back up again. The result was the remarkable chemical compound called water-endofullerene, denoted H2O@C60.
Our team has succeeded in developing a new synthetic route which requires milder conditions and has improved yield for the production of H2O@C60. In addition we will encapsulate other small molecules in the fullerene cage, including ammonia (NH3) and methane (CH4).
Molecules of ordinary water have two forms, which are called ortho and para-water, which are distinguished by the way the magnetic hydrogen nuclei point: in opposite sense for para-water, and in the same sense for ortho-water. In ordinary conditions, these two forms interconvert rapidly, and cannot be isolated. However, by trapping water molecules inside fullerene cages, the two forms are isolated and may be studied separately.
We recently observed that these two forms of water have different electrical properties. At low temperatures, the two forms interconvert over a period of tens of hours. We will study the interconversion of the two forms of water, and develop a theory of why this conversion changes the electrical properties.
In order to understand how these molecules behave, we will use several techniques. These methods include nuclear magnetic resonance (which involves a strong magnet and radiowaves), neutron scattering (in which the material is bombarded with neutrons from a nuclear reactor) and infrared spectroscopy (which involves the absorption of low-energy light waves). By combining the information from these different techniques, we will build up a complete picture of the quantum-mechanical behaviour of the trapped molecules.
Since ortho and para-water have different electrical properties, we expect to distinguish between single H2O@C60 molecules in the ortho and para states, by measuring the electrical response of single molecules. This will be done scanning over a surface loaded with the fullerenes, using a very sharp tip. In this way, we hope to observe the ortho to para transition of single molecules - something that has never been done before.
Although most of this project concerns basic science, this project could lead to technological and even medical advances in the future. For example, the ortho and para states of the individual H2O@C60 molecules could allow the storage of one bit of information inside a single molecule, without damaging it in any way. This might lead to a new form of very dense data storage. Since a single gram of H2O@C60 contains about 10^19 molecules, this single gram could in principle store 1 million terabytes of information, sufficient to store the DNA sequences of everyone on the planet (although it will be very difficult to store and retrieve this information). In addition, the quantum behaviour of the encapsulated molecules is expected to give rise to greatly enhanced magnetic resonance signals, leading to the possibility of greatly enhanced MRI images, with considerable medical benefits.
A remarkable method was pioneered by the Japanese scientists Komatsu and Murata, one of whom is a project partner on the current proposal. They performed "molecular surgery". First, a series of chemical reactions was used to open a hole in the fullerene cages. A small molecule such as water (H2O) was then inserted into each fullerene cage by using high temperature and pressure. Finally, a further series of chemical reactions was used to "sew" the holes back up again. The result was the remarkable chemical compound called water-endofullerene, denoted H2O@C60.
Our team has succeeded in developing a new synthetic route which requires milder conditions and has improved yield for the production of H2O@C60. In addition we will encapsulate other small molecules in the fullerene cage, including ammonia (NH3) and methane (CH4).
Molecules of ordinary water have two forms, which are called ortho and para-water, which are distinguished by the way the magnetic hydrogen nuclei point: in opposite sense for para-water, and in the same sense for ortho-water. In ordinary conditions, these two forms interconvert rapidly, and cannot be isolated. However, by trapping water molecules inside fullerene cages, the two forms are isolated and may be studied separately.
We recently observed that these two forms of water have different electrical properties. At low temperatures, the two forms interconvert over a period of tens of hours. We will study the interconversion of the two forms of water, and develop a theory of why this conversion changes the electrical properties.
In order to understand how these molecules behave, we will use several techniques. These methods include nuclear magnetic resonance (which involves a strong magnet and radiowaves), neutron scattering (in which the material is bombarded with neutrons from a nuclear reactor) and infrared spectroscopy (which involves the absorption of low-energy light waves). By combining the information from these different techniques, we will build up a complete picture of the quantum-mechanical behaviour of the trapped molecules.
Since ortho and para-water have different electrical properties, we expect to distinguish between single H2O@C60 molecules in the ortho and para states, by measuring the electrical response of single molecules. This will be done scanning over a surface loaded with the fullerenes, using a very sharp tip. In this way, we hope to observe the ortho to para transition of single molecules - something that has never been done before.
Although most of this project concerns basic science, this project could lead to technological and even medical advances in the future. For example, the ortho and para states of the individual H2O@C60 molecules could allow the storage of one bit of information inside a single molecule, without damaging it in any way. This might lead to a new form of very dense data storage. Since a single gram of H2O@C60 contains about 10^19 molecules, this single gram could in principle store 1 million terabytes of information, sufficient to store the DNA sequences of everyone on the planet (although it will be very difficult to store and retrieve this information). In addition, the quantum behaviour of the encapsulated molecules is expected to give rise to greatly enhanced magnetic resonance signals, leading to the possibility of greatly enhanced MRI images, with considerable medical benefits.
Planned Impact
1. Academic impact
1.1 New knowledge and scientific advancement.
The research in this proposal is basic in nature since it is directed to very basic questions at the heart of quantum physics: how do nuclear angular momenta interact with molecular angular momenta? Can molecular angular momentum be converted into nuclear polarization, giving rise to enormously enhanced NMR signals in the solid state? Can nuclear spin isomers be detected electrically? Can nuclear spin isomers be detected and manipulated on a single-molecule level?
In addition the proposal is highly interdisciplinary involving also highly novel compounds in organic chemistry. Simple and familiar molecules such as water, ammonia, and methane are married to the simplest and most symmetrical cage (C60-fullerene) and in order to generate unusual and fundamentally interesting quantum properties.
1.2 Worldwide scientific advancement
The proposal is part of an ongoing global collaboration with project partners from Japan and Estonia.
1.3 Development of new methodologies, equipment, techniques, cross-disciplinary approaches.
The project fits perfectly into all of these categories. It uses new methodologies, equipment and techniques, in particular the low-temperature magnetic resonance equipment newly installed in Southampton and which is in many aspects world-unique. The project is highly cross-disciplinary, involving organic chemistry, quantum physics, surface science, neutron scattering, magnetic resonance, scanning microscopy and electromagnetic spectroscopies.
1.4 Health of academic disciplines
It is essential for the health of academic disciplines that they are not locked into "silos". This project will establish close contact between many different academic disciplines such as synthetic chemistry, quantum molecular physics, microscopy, and magnetic resonance, to great benefit of all.
1.5 Delivering and training researchers.
All researchers involved in this project will be exposed to multiple disciplines and will acquire an excellent oversight of spectroscopic and physical techniques applied to molecular quantum systems. These are skills of great general applicability to a very wide range of scientific problems. Unfortunately, under the new EPSRC rules, we are unable to apply for, and offer, studentships under this project which would offer excellent interdisciplinary training opportunities for young UK students during their PhD. We will endeavour to fund such PhD studentships through other sources.
2. Economic and Societal Impact
2.1 Cultural. Science is a cultural activity - especially basic science. Basic research of this nature is therefore culturally enriching.
2.2 Societal benefits. In the long term the research described here is directed towards the development of more readily available methods for enhanced NMR spectroscopy, which would have considerable benefits in the medical, chemical and engineering areas. NMR is an extraordinarily broad field of science so fundamental advances in NMR have the potential for broad societal impact, as evidenced by the adoption of MRI technology worldwide.
2.3 Effects such as the electrical response of spin-isomer conversion may also contribute to the development of new information storage modalities on the single molecule level, with potential industrial benefits.
2.4 Economic benefits. Magnet technology is a strength of UK engineering so enhancements in NMR and MRI are of long-term economic benefit to the UK. This has been recognized by the recent strong investment in "quantum technology".
2.5 National security and social welfare. Improvements to medical treatment improve social welfare. Improvements to information processing and storage may improve social welfare if handled wisely. Cross-continental scientific cooperation is beneficial for national security.
1.1 New knowledge and scientific advancement.
The research in this proposal is basic in nature since it is directed to very basic questions at the heart of quantum physics: how do nuclear angular momenta interact with molecular angular momenta? Can molecular angular momentum be converted into nuclear polarization, giving rise to enormously enhanced NMR signals in the solid state? Can nuclear spin isomers be detected electrically? Can nuclear spin isomers be detected and manipulated on a single-molecule level?
In addition the proposal is highly interdisciplinary involving also highly novel compounds in organic chemistry. Simple and familiar molecules such as water, ammonia, and methane are married to the simplest and most symmetrical cage (C60-fullerene) and in order to generate unusual and fundamentally interesting quantum properties.
1.2 Worldwide scientific advancement
The proposal is part of an ongoing global collaboration with project partners from Japan and Estonia.
1.3 Development of new methodologies, equipment, techniques, cross-disciplinary approaches.
The project fits perfectly into all of these categories. It uses new methodologies, equipment and techniques, in particular the low-temperature magnetic resonance equipment newly installed in Southampton and which is in many aspects world-unique. The project is highly cross-disciplinary, involving organic chemistry, quantum physics, surface science, neutron scattering, magnetic resonance, scanning microscopy and electromagnetic spectroscopies.
1.4 Health of academic disciplines
It is essential for the health of academic disciplines that they are not locked into "silos". This project will establish close contact between many different academic disciplines such as synthetic chemistry, quantum molecular physics, microscopy, and magnetic resonance, to great benefit of all.
1.5 Delivering and training researchers.
All researchers involved in this project will be exposed to multiple disciplines and will acquire an excellent oversight of spectroscopic and physical techniques applied to molecular quantum systems. These are skills of great general applicability to a very wide range of scientific problems. Unfortunately, under the new EPSRC rules, we are unable to apply for, and offer, studentships under this project which would offer excellent interdisciplinary training opportunities for young UK students during their PhD. We will endeavour to fund such PhD studentships through other sources.
2. Economic and Societal Impact
2.1 Cultural. Science is a cultural activity - especially basic science. Basic research of this nature is therefore culturally enriching.
2.2 Societal benefits. In the long term the research described here is directed towards the development of more readily available methods for enhanced NMR spectroscopy, which would have considerable benefits in the medical, chemical and engineering areas. NMR is an extraordinarily broad field of science so fundamental advances in NMR have the potential for broad societal impact, as evidenced by the adoption of MRI technology worldwide.
2.3 Effects such as the electrical response of spin-isomer conversion may also contribute to the development of new information storage modalities on the single molecule level, with potential industrial benefits.
2.4 Economic benefits. Magnet technology is a strength of UK engineering so enhancements in NMR and MRI are of long-term economic benefit to the UK. This has been recognized by the recent strong investment in "quantum technology".
2.5 National security and social welfare. Improvements to medical treatment improve social welfare. Improvements to information processing and storage may improve social welfare if handled wisely. Cross-continental scientific cooperation is beneficial for national security.
Organisations
- University of Southampton (Lead Research Organisation)
- Columbia University (Collaboration)
- University of Stuttgart (Collaboration)
- University of Paderborn (Collaboration)
- Lohengrin (Institut Laue-Langevin) (Collaboration)
- University of Kyoto (Collaboration)
- DIAMOND LIGHT SOURCE (Collaboration)
- Helmholtz Association of German Research Centres (Collaboration)
- Max Planck Society (Collaboration)
- National Institute of Chemical Physics and Biophysics (Collaboration, Project Partner)
- Brown University (Collaboration)
- Institut Laue–Langevin (Collaboration)
- Jianghan University (Collaboration)
- National institute of Chemical Physics, Tallinn (Collaboration)
- Jagiellonian University (Collaboration)
- UNIVERSITY OF NOTTINGHAM (Collaboration)
- Lancaster University (Collaboration)
- Russian Academy of Sciences (Collaboration)
- Johannes Gutenberg University of Mainz (Collaboration)
- University of Osnabrück (Collaboration)
- Moscow Institute of Physics and Technology (Collaboration)
- Science and Technologies Facilities Council (STFC) (Collaboration)
- University of Lille (Collaboration)
- Institute of Electronics Microelectronics and Nanotechnology (Collaboration)
- KING'S COLLEGE LONDON (Collaboration)
- Kyoto University (Project Partner)
Publications
Xu M
(2019)
The Endofullerene HF@C60: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule, and Symmetry Breaking.
in The journal of physical chemistry letters
Utz M
(2015)
Visualisation of quantum evolution in the Stern-Gerlach and Rabi experiments.
in Physical chemistry chemical physics : PCCP
Soundararajan M
(2023)
Solid-state $^3\mathrm{He}$ NMR of the superconducting rubidium endofulleride $\mathrm{Rb_3(^3He@C_{60})}$
in Applied Magnetic Resonance
Rademacher J
(2023)
Gas-phase electronic spectroscopy of nuclear spin isomer separated H 2 O@C 60 + and D 2 O@C 60 +
in Molecular Physics
Meier B
(2018)
Spin-Isomer Conversion of Water at Room Temperature and Quantum-Rotor-Induced Nuclear Polarization in the Water-Endofullerene H_{2}O@C_{60}.
in Physical review letters
Meier B
(2015)
Electrical detection of ortho-para conversion in fullerene-encapsulated water.
in Nature communications
Mamone S
(2014)
Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance.
in The Journal of chemical physics
Mamone S
(2016)
Symmetry-breaking in the H2@C60 endofullerene revealed by inelastic neutron scattering at low temperature.
in Physical chemistry chemical physics : PCCP
Levitt MH
(2016)
Symmetry constraints on spin dynamics: Application to hyperpolarized NMR.
in Journal of magnetic resonance (San Diego, Calif. : 1997)
Krachmalnicoff A
(2014)
An optimised scalable synthesis of H2O@C60 and a new synthesis of H2@C60.
in Chemical communications (Cambridge, England)
Krachmalnicoff A
(2016)
The dipolar endofullerene HF@C60.
in Nature chemistry
Krachmalnicoff A
(2015)
Synthesis and characterisation of an open-cage fullerene encapsulating hydrogen fluoride.
in Chemical communications (Cambridge, England)
Kouril K
(2019)
Scalable dissolution-dynamic nuclear polarization with rapid transfer of a polarized solid.
in Nature communications
Kouril K
(2017)
NMR of molecular endofullerenes dissolved in a nematic liquid crystal.
in Physical chemistry chemical physics : PCCP
Kouril K
(2018)
Alignment of 17O-enriched water-endofullerene H2O@C60 in a liquid crystal matrix.
in Faraday discussions
Hoffman G
(2021)
A Solid-State Intramolecular Wittig Reaction Enables Efficient Synthesis of Endofullerenes Including Ne@C 60 , 3 He@C 60 , and HD@C 60
in Angewandte Chemie
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)
Goh KS
(2014)
Symmetry-breaking in the endofullerene H2O@C660 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation.
in Physical chemistry chemical physics : PCCP
Elliott SJ
(2018)
NMR Lineshapes and Scalar Relaxation of the Water-Endofullerene H217 O@C60.
in Chemphyschem : a European journal of chemical physics and physical chemistry
Concistrè M
(2014)
Freezing of Molecular Motions Probed by Cryogenic Magic Angle Spinning NMR.
in The journal of physical chemistry letters
Bloodworth S
(2019)
First Synthesis and Characterization of CH4 @C60.
in Angewandte Chemie (International ed. in English)
Bloodworth S
(2019)
First Synthesis and Characterization of CH 4 @C 60
in Angewandte Chemie
Description | Molecules may be encapsulated in fullerene cages. They display quantized spatial and spin states. Encapsulated water molecules display spin isomerism. New endofullerenes were synthesized, such as the dipolar endofullerene HF@C60. |
Exploitation Route | New materials; new insights into the quantum behaviour of encapsulated molecules. |
Sectors | Chemicals Digital/Communication/Information Technologies (including Software) Electronics Manufacturing including Industrial Biotechology |
Description | EPSRC Platform Grant |
Amount | £1,784,689 (GBP) |
Funding ID | EP/P009980/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 03/2017 |
End | 02/2022 |
Description | Endofullerenes |
Amount | £605,877 (GBP) |
Funding ID | EP/I029451/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 09/2011 |
End | 09/2014 |
Description | Underpinning Equipment |
Amount | £1,999,999 (GBP) |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 03/2017 |
End | 03/2018 |
Title | Bullet-DNP equipment |
Description | Device and control system for rapid dissolution of a solid polarized by dynamic nuclear polarization |
Type Of Material | Improvements to research infrastructure |
Year Produced | 2019 |
Provided To Others? | Yes |
Impact | Research insights and advances |
Title | Cryogenic NMR probe |
Description | Equipment for performing NMR at cryogenic temperatures |
Type Of Material | Improvements to research infrastructure |
Year Produced | 2015 |
Provided To Others? | No |
Impact | Advances in scientific understanding from measurement results |
Title | CCDC 1858399: Experimental Crystal Structure Determination |
Description | Related Article: Sally Bloodworth, Gabriela Sitinova, Shamim Alom, Sara Vidal, George R. Bacanu, Stuart J. Elliott, Mark E. Light, Julie M. Herniman, G. John Langley, Malcolm H. Levitt, Richard John Whitby|2019|Angew.Chem.,Int.Ed.|58|5038|doi:10.1002/anie.201900983 |
Type Of Material | Database/Collection of data |
Year Produced | 2019 |
Provided To Others? | Yes |
URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc20ctcl&sid=DataCite |
Title | CCDC 1953259: Experimental Crystal Structure Determination |
Description | Related Article: Gabriela Hoffman, Mark C. Walkey, John Gräsvik, George R. Bacanu, Shamim Alom, Sally Bloodworth, Mark E. Light, Malcolm H. Levitt, Richard John Whitby|2021|Angew.Chem.,Int.Ed.|60|8960|doi:10.1002/anie.202100817 |
Type Of Material | Database/Collection of data |
Year Produced | 2021 |
Provided To Others? | Yes |
URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc23kjcl&sid=DataCite |
Title | CCDC 1953465: Experimental Crystal Structure Determination |
Description | Related Article: Gabriela Hoffman, Mark C. Walkey, John Gräsvik, George R. Bacanu, Shamim Alom, Sally Bloodworth, Mark E. Light, Malcolm H. Levitt, Richard J. Whitby|2021|Angew.Chem.,Int.Ed.|60|8960|doi:10.1002/anie.202100817 |
Type Of Material | Database/Collection of data |
Year Produced | 2021 |
Provided To Others? | Yes |
URL | http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc23kr0g&sid=DataCite |
Title | Dataset for: SpinDynamica: Symbolic and numerical magnetic resonance in a Mathematica environment |
Description | SpinDynamica is a set of Mathematica packages for performing numerical and symbolic analysis of a wide range of magnetic resonance experiments and phenomena. An overview of the SpinDynamica architecture and functionality is given, with some simple representative examples. |
Type Of Material | Database/Collection of data |
Year Produced | 2017 |
Provided To Others? | Yes |
Impact | Widely used worldwide for the analysis and understanding of nuclear magnetic resonance |
URL | https://wiley.figshare.com/articles/dataset/Dataset_for_SpinDynamica_Symbolic_and_numerical_magnetic... |
Description | Endofullerene collaboration |
Organisation | Brown University |
Country | United States |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Columbia University |
Country | United States |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Diamond Light Source |
Country | United Kingdom |
Sector | Private |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Helmholtz Association of German Research Centres |
Department | Helmholtz Institute Mainz |
Country | Germany |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Jianghan University |
Country | China |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | King's College London |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Lancaster University |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Lohengrin (Institut Laue-Langevin) |
Country | France |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Max Planck Society |
Department | Fritz Haber Institute |
Country | Germany |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | Moscow Institute of Physics and Technology |
Country | Russian Federation |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | National institute of Chemical Physics, Tallinn |
Country | Estonia |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | University of Kyoto |
Country | Japan |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | University of Lille |
Country | France |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | University of Nottingham |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | University of Osnabrück |
Country | Germany |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | University of Paderborn |
Country | Germany |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene collaboration |
Organisation | University of Stuttgart |
Country | Germany |
Sector | Academic/University |
PI Contribution | NMR and theory |
Collaborator Contribution | Synthesis, physical techniques, and theory |
Impact | Too complex to report here. |
Start Year | 2006 |
Description | Endofullerene consortium starting 2015 |
Organisation | Institut Laue–Langevin |
Country | France |
Sector | Academic/University |
PI Contribution | NMR & theory |
Collaborator Contribution | multidisciplinary research and measurements |
Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
Start Year | 2015 |
Description | Endofullerene consortium starting 2015 |
Organisation | Institute of Electronics Microelectronics and Nanotechnology |
Country | France |
Sector | Academic/University |
PI Contribution | NMR & theory |
Collaborator Contribution | multidisciplinary research and measurements |
Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
Start Year | 2015 |
Description | Endofullerene consortium starting 2015 |
Organisation | Jagiellonian University |
Department | Jagiellonian University Medical College |
Country | Poland |
Sector | Academic/University |
PI Contribution | NMR & theory |
Collaborator Contribution | multidisciplinary research and measurements |
Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
Start Year | 2015 |
Description | Endofullerene consortium starting 2015 |
Organisation | Johannes Gutenberg University of Mainz |
Country | Germany |
Sector | Academic/University |
PI Contribution | NMR & theory |
Collaborator Contribution | multidisciplinary research and measurements |
Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
Start Year | 2015 |
Description | Endofullerene consortium starting 2015 |
Organisation | National institute of Chemical Physics, Tallinn |
Country | Estonia |
Sector | Academic/University |
PI Contribution | NMR & theory |
Collaborator Contribution | multidisciplinary research and measurements |
Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
Start Year | 2015 |
Description | Endofullerene consortium starting 2015 |
Organisation | University of Nottingham |
Department | School of Psychology Nottingham |
Country | United Kingdom |
Sector | Academic/University |
PI Contribution | NMR & theory |
Collaborator Contribution | multidisciplinary research and measurements |
Impact | Numerous outputs. See linked grants. Multidisciplinary: chemistry, physics |
Start Year | 2015 |
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 | 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 | Neutron scattering of endofullerenes |
Organisation | Science and Technologies Facilities Council (STFC) |
Department | ISIS Neutron and Muon Source |
Country | United Kingdom |
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 |
Title | SpinDynamica |
Description | Large set of Mathematica packages for analyzing, simulating, and understanding NMR experiments. |
Type Of Technology | Software |
Year Produced | 2017 |
Impact | widely used in NMR community |
URL | http://www.spindynamica.soton.ac.uk |