Isolobal Solutions to the Hysteresis Challenge in Single-Molecule Magnetism

Lead Research Organisation: University of Sussex
Department Name: Sch of Life Sciences

Abstract

Magnetic materials containing rare-earth elements are indispensable to modern society, with their myriad applications ranging from the bulk scales of wind turbines and batteries for electronic vehicles to small-scale devices such as smart phones and computer hard-disk drives (HDDs). The use of rare earths in HDDs is particularly important since conventional technology for data processing relies on the unique magnetic properties of these elements to process and store digital information. This technology is struggling to keep pace with the rate at which data is generated and with the demands for processing it through increasingly sophisticated computer modelling processes.

To meet the demands of modern society and its thirst for generating extremely large amounts of data, there is a pressing need to develop new types of magnetic material capable of storing this data whilst simultaneously decreasing the physical size of the storage medium. In this project, we propose to develop solutions to the problem based on a simple premise: size matters.

The amount of data that can be stored in an HDD depends on the size of the magnetic particles; making these particles smaller should allow more digital information to be stored per unit area. Conventional rare-earth magnetic materials consist of particles with dimensions on the scale of tens of nanometres. In this project, we will synthesize a family of rare-earth magnets known as single-molecule magnets (SMMs), which store magnetic information at the level of individual molecules, typically with dimensions of less than one nanometre.

Molecules offer a major advantage over conventional atom-based magnets, which is that their properties can be improved rationally by changing the chemical environment in which the rare-earth elements reside. This facet allows us to address the major challenge in studies of SMMs, which is that their properties can only be observed upon cooling with cryogens, which is expensive and impractical.

In a ground-breaking development, the PI reported the first SMM to show magnetic memory effects above the boiling point of liquid nitrogen. The wider significance of this benchmark system is that it provides a blueprint for developing a new generation of high-temperature SMM. Therefore, in this project we will develop innovative chemical routes to a new generation of SMM with properties that can be observed at unprecedentedly high temperatures. Success with this project will potentially take an important step towards the incorporation of these materials into functional devices.

Planned Impact

According to a recent report on bloomberg.com, the data market is predicted to be valued at $102.2 billion by 2024. Since data processing is relied upon by all types of business and public service providers in order to operate, the data market can only grow in the short, medium and long terms. However, the power of conventional computers is already starting to stretch the limits of what can be achieved by traditional manufacturing methods. Hence, in the future, sustainable solutions to impending data storage and processing problems will have to be based on alternative technology.

Data processing devices based on the quantum properties of atoms and molecules have tremendous potential to enable previously inconceivable advances in a range of settings, such as encryption/cryptography, data analytics and topological analysis, weather forecasting, medical research and traffic management based on autonomous vehicles. The data storage capabilities of single-molecule magnets have led to several prototype examples being developed as candidates for qubits, i.e. the basis of a quantum computer, hence such materials might be able to make considerable impact in this field of innovation.

In light of this, the most exciting findings from this research project have the potential to benefit a large range of stakeholders, including major players such as Volkswagen, Lockheed Martin and Airbus, who have already invested in quantum computers manufactured by D-Wave. Whilst the transition from funding basic research excellence to a marketable device will take time, an SMM with the right properties does respond to one of society's challenges and would allow the UK to develop a leading direction in this area of research and innovation. An indication of the importance of such an endeavour is highlighted by the investment made by IBM in fundamental research focusing on data storage at the level of single atoms, as described in Nature, 2017, 543, 226. This proposal has the same aims as the IBM work, but uses a different, chemical methodology that should allow us to go further in terms of the SMM performance parameters.

The primary aim of this proposal is to synthesize new SMMs that function at unprecedentedly high temperatures and to answer the question 'can room-temperature SMMs be made?'. In addressing these challenges, the PI draws a parallel with the grand challenge in superconductivity, where the race to make the first room-temperature superconductor has recently intensified with the discovery of material with a critical temperature of 250 K, albeit under a pressure of 170 GPa (see Nature 2019, 569, 528). Superconductors have been known for well over a hundred years, whereas the SMM field is still in its infancy. The fact that a room temperature superconductor has not yet been discovered is widely regarded as the justification for more research. Here; the PI argues the same case for SMMs. Whilst the challenges are substantial, the possible rewards for surmounting them are huge, not only from the perspective of fundamental research but also from the longer-term implications for computer devices based on the quantum properties of molecules.

Publications

10 25 50
 
Description 1. We have discovered a new oxidation state of uranium, i.e., the oxidation state +1. This is a major development in the field of uranium chemistry.

2. We have discovered a new high-temperature dysprosium single-molecule magnet that shows an unprecedented double thermal relaxation.
Exploitation Route Too early to say.
Sectors Chemicals

 
Description We would like to add an entry in relation to the 'Significant impact within academia, for example the nucleation of a new research area' heading. We have produced an unexpected findings that could lead to new research in the field of molecule-based conducting materials. We are exploring this aspect with colleagues in the Department of Physics and Astronomy at Sussex.
Sector Chemicals
 
Description Lanthanides and Actinides in the +1 Oxidation State
Amount £878,426 (GBP)
Funding ID : EP/X036626/1 
Organisation University of Sussex 
Sector Academic/University
Country United Kingdom
Start 09/2023 
End 09/2026
 
Title CCDC 1996560: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc250l5z&sid=DataCite
 
Title CCDC 1996561: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc250l60&sid=DataCite
 
Title CCDC 2096032: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc28c2yp&sid=DataCite
 
Title CCDC 2096033: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc28c2zq&sid=DataCite
 
Title CCDC 2096034: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc28c30s&sid=DataCite
 
Title CCDC 2149639: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4w6l&sid=DataCite
 
Title CCDC 2149640: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4w7m&sid=DataCite
 
Title CCDC 2149641: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4w8n&sid=DataCite
 
Title CCDC 2149642: Experimental Crystal Structure Determination 
Description Related Article: Christopher G. T. Price, Arpan Mondal, James P. Durrant, Jinkui Tang, Richard A. Layfield|2023|Inorg.Chem.|62|9924|doi:10.1021/acs.inorgchem.3c01038 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4w9p&sid=DataCite
 
Title CCDC 2149643: Experimental Crystal Structure Determination 
Description Related Article: Christopher G. T. Price, Arpan Mondal, James P. Durrant, Jinkui Tang, Richard A. Layfield|2023|Inorg.Chem.|62|9924|doi:10.1021/acs.inorgchem.3c01038 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4wbq&sid=DataCite
 
Title CCDC 2149644: Experimental Crystal Structure Determination 
Description Related Article: Christopher G. T. Price, Arpan Mondal, James P. Durrant, Jinkui Tang, Richard A. Layfield|2023|Inorg.Chem.|62|9924|doi:10.1021/acs.inorgchem.3c01038 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4wcr&sid=DataCite
 
Title CCDC 2149645: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4wds&sid=DataCite
 
Title CCDC 2149646: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4wft&sid=DataCite
 
Title CCDC 2149647: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2b4wgv&sid=DataCite
 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2bt9k1&sid=DataCite
 
Title CCDC 2170255: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2bvb7s&sid=DataCite
 
Title CCDC 2210714: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6fcf&sid=DataCite
 
Title CCDC 2210715: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6fdg&sid=DataCite
 
Title CCDC 2210716: Experimental Crystal Structure Determination 
Description Related Article: Nikolaos Tsoureas, Thayalan Rajeshkumar, Oliver P. E. Townrow, Laurent Maron, Richard A. Layfield|2022|Inorg.Chem.|61|20629|doi:10.1021/acs.inorgchem.2c03534 
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6ffh&sid=DataCite
 
Title CCDC 2210717: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6fgj&sid=DataCite
 
Title CCDC 2210976: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6pt4&sid=DataCite
 
Title CCDC 2210977: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6pv5&sid=DataCite
 
Title CCDC 2210978: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6pw6&sid=DataCite
 
Title CCDC 2210979: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6px7&sid=DataCite
 
Title CCDC 2210980: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6py8&sid=DataCite
 
Title CCDC 2210981: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6pz9&sid=DataCite
 
Title CCDC 2210982: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q0c&sid=DataCite
 
Title CCDC 2210984: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q2f&sid=DataCite
 
Title CCDC 2210985: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q3g&sid=DataCite
 
Title CCDC 2210986: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q4h&sid=DataCite
 
Title CCDC 2210987: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q5j&sid=DataCite
 
Title CCDC 2210988: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q6k&sid=DataCite
 
Title CCDC 2210989: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q7l&sid=DataCite
 
Title CCDC 2210990: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q8m&sid=DataCite
 
Title CCDC 2210991: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6q9n&sid=DataCite
 
Title CCDC 2210992: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qbp&sid=DataCite
 
Title CCDC 2210993: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qcq&sid=DataCite
 
Title CCDC 2210994: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qdr&sid=DataCite
 
Title CCDC 2210995: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qfs&sid=DataCite
 
Title CCDC 2210999: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qkx&sid=DataCite
 
Title CCDC 2211000: Experimental Crystal Structure Determination 
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Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qly&sid=DataCite
 
Title CCDC 2211001: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qmz&sid=DataCite
 
Title CCDC 2211002: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qn0&sid=DataCite
 
Title CCDC 2211003: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qp1&sid=DataCite
 
Title CCDC 2211004: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qq2&sid=DataCite
 
Title CCDC 2211005: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qr3&sid=DataCite
 
Title CCDC 2211006: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qs4&sid=DataCite
 
Title CCDC 2211007: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qt5&sid=DataCite
 
Title CCDC 2211008: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qv6&sid=DataCite
 
Title CCDC 2211009: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qw7&sid=DataCite
 
Title CCDC 2211010: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6qx8&sid=DataCite
 
Title CCDC 2211021: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6r8n&sid=DataCite
 
Title CCDC 2211022: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6r9p&sid=DataCite
 
Title CCDC 2211023: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6rbq&sid=DataCite
 
Title CCDC 2211024: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6rcr&sid=DataCite
 
Title CCDC 2211025: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6rds&sid=DataCite
 
Title CCDC 2211026: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2d6rft&sid=DataCite
 
Title CCDC 2223051: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dm8bn&sid=DataCite
 
Title CCDC 2223351: Experimental Crystal Structure Determination 
Description Related Article: Siddhartha De, Arpan Mondal, Ze-Yu Ruan, Ming-Liang Tong, Richard A. Layfield|2023|Chem.-Eur.J.|||doi:10.1002/chem.202300567 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dml0n&sid=DataCite
 
Title CCDC 2223352: Experimental Crystal Structure Determination 
Description Related Article: Siddhartha De, Arpan Mondal, Ze-Yu Ruan, Ming-Liang Tong, Richard A. Layfield|2023|Chem.-Eur.J.|||doi:10.1002/chem.202300567 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2dml1p&sid=DataCite
 
Title CCDC 2244132: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2fb6cc&sid=DataCite
 
Title CCDC 2250004: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2fj9s2&sid=DataCite
 
Title CCDC 2258759: Experimental Crystal Structure Determination 
Description Related Article: Thomas Mies, Andrew J. P. White, Henry S. Rzepa, Luciano Barluzzi, Mohit Devgan, Richard A. Layfield, Anthony G. M. Barrett|2023|Inorg.Chem.|62|13253|doi:10.1021/acs.inorgchem.3c01506 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2ftf6x&sid=DataCite
 
Title CCDC 2267070: Experimental Crystal Structure Determination 
Description Related Article: Arpan Mondal, Christopher G. T. Price, Jinkui Tang, Richard A. Layfield|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c07600 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g329z&sid=DataCite
 
Title CCDC 2267071: Experimental Crystal Structure Determination 
Description Related Article: Arpan Mondal, Christopher G. T. Price, Jinkui Tang, Richard A. Layfield|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c07600 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g32b0&sid=DataCite
 
Title CCDC 2267072: Experimental Crystal Structure Determination 
Description Related Article: Arpan Mondal, Christopher G. T. Price, Jinkui Tang, Richard A. Layfield|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c07600 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g32c1&sid=DataCite
 
Title CCDC 2267073: Experimental Crystal Structure Determination 
Description Related Article: Arpan Mondal, Christopher G. T. Price, Jinkui Tang, Richard A. Layfield|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c07600 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g32d2&sid=DataCite
 
Title CCDC 2267074: Experimental Crystal Structure Determination 
Description Related Article: Arpan Mondal, Christopher G. T. Price, Jinkui Tang, Richard A. Layfield|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c07600 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g32f3&sid=DataCite
 
Title CCDC 2267075: Experimental Crystal Structure Determination 
Description Related Article: Arpan Mondal, Christopher G. T. Price, Jinkui Tang, Richard A. Layfield|2023|J.Am.Chem.Soc.|||doi:10.1021/jacs.3c07600 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g32g4&sid=DataCite
 
Title Data for paper: Bimetallic Synergy Enables Silole Insertion into THF and the Synthesis of Erbium Single-Molecule Magnets 
Description Dataset for paper published in Angewandte Chemie International (Feb 2024)Includes raw data files for magnetic measurements, NMR spectroscopy and FTIR spectroscopy.Crystallographic details provided in .CIF format.AbstractThe potassium silole K2[SiC4-2,5-(SiMe3)2-3,4-Ph2] reacts with [M(?8-COT)(THF)4][BPh4] (M = Er, Y; COT = cyclo-octatetraenyl) in THF to give products that feature unprecedented insertion of the nucleophilic silicon centre into a carbon-oxygen bond of THF. The structure of the major product, [(µ-?8:?8-COT)M(m-L1)K][[EQUATION]] (1M), consists of polymeric chains of sandwich complexes, where the spiro-bicyclic silapyran ligand [C4H8OSiC4(SiMe3)2Ph2]2- (L1) coordinates to potassium via the oxygen. The minor product [(µ-?8:?8-COT)M(m-L1)K(THF)]2 (2M) features coordination of the silapyran to the rare-earth metal. In forming 1M and 2M, silole insertion into THF only occurs in the presence of potassium and the rare-earth metal, highlighting the importance of bimetallic synergy. The lower nucleophilicity of germanium(II) leads to contrasting reactivity of the potassium germole K2[GeC4-2,5-(SiMe3)2-3,4-Me2] towards [M(?8-COT)(THF)4][BPh4], with intact transfer of the germole occurring to give the coordination polymers [{?5-GeC4(SiMe3)2Me2}M(h8-COT)K][[EQUATION]] (3M). Despite the differences in reactivity induced by the group 14 heteroatom, the single-molecule magnet properties of 1Er, 2Er and 3Er are similar, with thermally activated relaxation occurring via the first-excited Kramers doublet, subject to effective energy barriers of 122, 80 and 91 cm-1, respectively. Compound 1Er is also analysed by high-frequency dynamic magnetic susceptibility measurements up to 106 Hz. 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Data_for_paper_Bimetallic_Synergy_Enables_Silole_Insert...
 
Title Data for paper: Targeted Synthesis of End-on Dinitrogen-bridged Lanthanide Metallocenes and their Reactivity as Divalent Synthons 
Description Dataset for Targeted Synthesis of End-on Dinitrogen-bridged Lanthanide Metallocenes and their Reactivity as Divalent Synthons published in Journal of the American Chemical Society September 2023 Data files CIF and checkCIF files for all crystal structures. IR spectroscopy data for all compounds. Raman spectroscopy data for all compounds. UV/visible spectroscopy data for all compounds. Magnetic measurement data for all compounds. Article abstract High-yield syntheses of the lanthanide dinitrogen complexes [(Cp2tttM)2(µ-1,2-N2)] (1M, M = Gd, Tb, Dy; Cpttt = 1,2,4-C5tBu3H2), in which the [N2]2- ligands solely adopt the rare end-on or 1,2-bridging mode, are reported. The bulk of the tert-butyl substituents and the smaller radii of gadolinium, terbium, and dysprosium preclude formation of the side-on dinitrogen bonding mode on steric grounds. Elongation of the nitrogen-nitrogen bond relative to N2 is observed in 1M, and their Raman spectra show a major absorption consistent with N-N double bonds. Computational analysis of 1Gd identifies that the local symmetry of the metallocene units lifts the degeneracy of two 5dp orbitals, leading to differing overlap with the p* orbitals of [N2]2-, a consequence of which is that the dinitrogen ligand occupies a singlet ground state. Magnetic measurements reveal antiferromagnetic exchange in 1M and single-molecule magnet (SMM) behavior in 1Dy. Ab initio calculations show that the magnetic easy axis in the ground doublets of 1Tb and 1Dy align with the {M-N-N-M} connectivity, in contrast to the usual scenario in dysprosium metallocene SMMs, where the axis passes through the cyclopentadienyl ligands. The [N2]2- ligands in 1M allow these compounds to be regarded as two-electron reducing agents, serving as synthons for divalent gadolinium, terbium, and dysprosium. Proof of principle for this concept is obtained in the reactions of 1M with 2,2'-bipyridyl (bipy) to give [Cp2tttM(?2-bipy)] (2M, M = Gd, Tb, Dy), in which the lanthanide is ligated by a bipy radical anion, with strong metal-ligand direct exchange coupling. 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Data_for_paper_Targeted_Synthesis_of_End-on_Dinitrogen-...
 
Title Data for paper: Triply Bonded Pancake p-Dimers Stabilized by Tetravalent Actinides 
Description Data for paper published Feb 2024 in the Journal of the American Chemical Society (JACS) (PUBLICATION DATE TBC) IR spectroscopy data. Crystallography data in CIF format. NMR spectroscopy data. EPR spectroscopy data. UV/vis/NIR spectroscopy data. Conductivity data. Thin film characterization data. DFT optimized geometries for 1-Th and 1-U. Abstract Aromatic -stacking is a weakly attractive, non-covalent interaction often found in biological macromolecules and syn-thetic supramolecular chemistry. The weak non-directional nature of -stacking can present challenges in the design of materials owing to their weak, non-directional nature. However, when aromatic -systems contain an unpaired electron, stronger attraction involving face-to-face -orbital overlap is possible, resulting in covalent so-called 'pancake' bonds. Two-electron, multicentre single pancake bonds are well-known whereas four-electron double pancake bonds are rare. Higher-order pancake bonds have been predicted, but experimental systems are unknown. Here, we show that six-electron triple pancake bonds can be synthesized by threefold reduction of hexaazatrinaphthylene (HAN) and subse-quent stacking of the [HAN]³- tri-radicals. Our analysis reveals a multicentre covalent triple pancake bond consisting of a -orbital and two equivalent -orbitals. An electrostatic stabilizing role is established for tetravalent thorium and urani-um ions in these systems. We also show that the electronic absorption spectrum of the triple pancake bonds closely matches computational predictions, providing experimental verification of these unique interactions. The discovery of conductivity in thin films of the triply bonded -dimers presents new opportunities for the discovery of single-component molecular conductors and other spin-based molecular materials 
Type Of Material Database/Collection of data 
Year Produced 2024 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Data_for_paper_Triply_Bonded_Pancake_-Dimers_Stabilized...
 
Title Dataset for 'Structural and Magnetization Dynamics of Borohydride-Bridged Rare-Earth Metallocenium Cations' 
Description Data for paper published in Inorganic Chemistry (14th June, 2023) Experimental data on all compounds in paper, including: X-ray crystallography data in .cif and .checkcif formats for all compounds. NMR spectroscopy data for yttrium and lutetium compounds. FTIR spectroscopy data for all compounds. Magnetic measurement data for all dysprosium compounds. CIF files can be accessed with graphical interface using Mercury sotware https://www.ccdc.cam.ac.uk/solutions/software/free-mercury/ Abstract The structure and magnetic properties of the bimetallic borohydride-bridged dysprosocenium compound [{(h5-Cpttt)(h5-CpMe4t)Dy}2(m:k2:k2-BH4)]+[B(C6F5)4]- ([3Dy][B(C6F5)4]) are reported along with the solution-phase dynamics of the isostructural yttrium and lutetium analogues (Cpttt is 1,2,4-tri(tert-butyl)cyclopentadienyl, CpMe4t is tetramethyl(tert-butyl)cyclopentadienyl). The synthesis of [3M][B(C6F5)4] was accomplished in the 2:1 stoichiometric reactions of [(h5-Cpttt)Dy(h5-CpMe4t)(BH4)] (2M) with [CPh3][B(C6F5)4], with the metallocenes 2M obtained from reactions of the half-sandwich complexes [(h5-Cpttt)M(BH4)2(THF)] (1M) with KCpttt (M = Y, Dy, Lu). Crystallographic studies show significant lengthening of the M×××B distance on moving through the series 1M, 2M and 3M, with essentially linear {M×××B×××M} bridges in 3M. Multinuclear NMR spectroscopy indicates restricted rotation of the Cpttt ligands in 3Y and 3Lu in solution. The single-molecule magnet (SMM) properties of [3M][B(C6F5)4] are characterized by Raman and Orbach processes, with an effective barrier of 533(18) cm-1 and relaxation via the second-excited Kramers doublet. Whereas quantum tunneling of the magnetization (QTM) was not observed for [3M][B(C6F5)4], it was, surprisingly, found in its magnetically dilute version, which has a very similar barrier of Ueff = 499(21) cm-1. Consistent with this observation, slightly wider openings of the magnetic hysteresis loop at 2 K are found for [3M][B(C6F5)4] but not for the diluted analogue. The dynamic magnetic properties of the dysprosium SMMs and the role of exchange interactions in 3Dy are interpreted with the aid of multireference ab initio calculations. 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Dataset_for_Structural_and_Magnetization_Dynamics_of_Bo...
 
Title Research data for paper: Discovery of a Dysprosium Metallocene Single-Molecule Magnet with Two High-Temperature Orbach Processes 
Description Data for paper published in Inorganic Chemistry April 2022 Crystal data and structure refinements. Spin-phonon coupling constants. Coordinates of optimized geometries. 
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Research_data_for_paper_Discovery_of_a_Dysprosium_Metal...
 
Title Research data for paper: Dynamic Magnetic Properties of Germole-ligated Lanthanide Sandwich Complexes 
Description X-ray crystallography data for all compounds in .cif and format and checkcif files in .pdf format: 1_Dy.cif 1_Er.cif 1_Dy_checkcif.pdf 1_Er_checkcif.pdf Magnetic measurement data for all compounds in .dat format 
Type Of Material Database/Collection of data 
Year Produced 2023 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Research_data_for_paper_Dynamic_Magnetic_Properties_of_...
 
Title Research data for paper: Identification of oxidation state +1 in a molecular uranium complex 
Description Data for paper published in the Journal of the American Chemical Society. September 2022 X-ray crystallography CIF files, IR data, UV/vis data, magnetic measurement data Abstract The concept of oxidation state plays a fundamentally important role in defining the chemistry of the elements. In the f block of the periodic table, well-known oxidation states in compounds of the lanthanides include 0, +2, +3 and +4, and oxidation states for the actinides range from +7 to +2. Oxidation state +1 is conspicuous by its absence from the f-block elements. Here we show that the uranium(II) metallocene [U(?5-C5iPr5)2] and the uranium(III) metallocene [IU(?5-C5iPr5)2] can be reduced by potassium graphite in the presence of 2.2.2-cryptand to the uranium(I) metallocene [U(?5-C5iPr5)2]- (1) (C5iPr5 = pentaisopropylcyclopentadienyl) as the salt of [K(2.2.2-cryptand)]+. An X-ray crystallographic study revealed that 1 has a bent metallocene structure, and theoretical studies and magnetic measurements confirmed that the electronic ground state of uranium(I) adopts a 5f3(7s/6dz2)1(6dx2-y2/6dxy)1 configuration. The metal-ligand bonding in 1 consists of contributions from uranium 5f, 6d, and 7s orbitals, with the 6d orbitals engaging in weak but non-negligible covalent interactions. Identification of the oxidation state +1 for uranium expands the range of isolable oxidation states for the f-block elements and potentially signposts a synthetic route to this elusive species for other actinides and the lanthanides. 
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Research_data_for_paper_Identification_of_oxidation_sta...
 
Title Research data for paper: Thorium- and Uranium-Mediated C-H Activation of a Silyl-Substituted Cyclobutadienyl Ligand 
Description CIF files and checkcif files for all compounds. 
Type Of Material Database/Collection of data 
Year Produced 2022 
Provided To Others? Yes  
URL https://sussex.figshare.com/articles/dataset/Research_data_for_paper_Thorium-_and_Uranium-Mediated_C...