Very High Intensity Single Crystal Diffractometers (VHISCD)
Lead Research Organisation:
University of Nottingham
Department Name: Sch of Chemistry
Abstract
The School of Chemistry at The University of Nottingham is a vigorous, innovative hub for internationally-recognised research. The School was ranked 2nd in the UK (between Cambridge and Oxford) by the 2008 RAE, and current grant income exceeds £20M. One of our highlighted strengths is the close interaction between synthetic chemistry and detailed structural characterisation and analysis. This proposal is aimed squarely at building on this strength and increasing its capacity and breadth.
Single crystal X-ray crystallographic analysis underpins the productivity of all our research involving synthetic chemistry. It is essential for the unambiguous characterisation of new materials, but also reveals relationships between structure, properties and function. In many cases structural data define the next generation of target materials and underpin the optimisation of their design. Over 1200 samples are submitted to the School's Crystal Structure Facility each year, but many are too difficult to study using our older instruments - these are now several technological generations behind what is currently available. We are now looking for really major upgrades to our instrumentation, by taking advantage of some exciting, recently-developed technologies including very bright laboratory X-ray sources.
Single crystal X-ray crystallographic analysis underpins the productivity of all our research involving synthetic chemistry. It is essential for the unambiguous characterisation of new materials, but also reveals relationships between structure, properties and function. In many cases structural data define the next generation of target materials and underpin the optimisation of their design. Over 1200 samples are submitted to the School's Crystal Structure Facility each year, but many are too difficult to study using our older instruments - these are now several technological generations behind what is currently available. We are now looking for really major upgrades to our instrumentation, by taking advantage of some exciting, recently-developed technologies including very bright laboratory X-ray sources.
Planned Impact
The proposed new X-ray diffraction instrumentation will enable research outputs which will have major impact across academia, industry and society. In terms of Knowledge, structural information will contribute directly to major scientific advances in the research areas described in the proposal covering Grand Challenge areas of energy, sustainability, materials discovery, catalysis, healthcare, nanoscience and dial-a-molecule, and will provide a strong driver for their development, implementation and transfer to industry. The research will inform stakeholders, funding agencies and policy makers across the physical sciences, and chemistry specifically. In terms of People, incoming early-career scientists (20 PDRAs and 35 PhD students per year) will gain important high-level skills and training in structural analysis which will be vital for their research and will augment their employability within and across the UK economy. Thus, the project will train scientists to enhance the necessary skills-base of the UK in important and timely scientific areas. The Economy will benefit in the short-term via employment of newly trained early-career scientists, and in the medium-to-longer term through development of new products and processes based upon new research discoveries. In due course, new companies of direct economic benefit to Society will be launched from the scientific advances developed within the current programme. Short-term beneficiaries of the research will include academics working across engineering and physical, biological and pharmaceutical sciences where the outputs of high quality research, underpinned by the proposed instrumentation, will drive progress and guide the development of new scientific approaches, technologies and products. All the above will work to improve and enhance the quality of life in the UK and world populations though the positive impacts of this research on energy, sustainability, healthcare, nanoscience and catalysis.
Organisations
Publications
Liddle Steve
(2014)
Recent progress in molecular uranium nitride chemistry
in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
Yan Y
(2014)
Studies on metal-organic frameworks of Cu(II) with isophthalate linkers for hydrogen storage.
in Accounts of chemical research
Blake A
(2015)
The continuing development and expansion of Acta Crystallographica Section B
in Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Tidey JP
(2016)
High-pressure studies of three polymorphs of a palladium(II) oxathioether macrocyclic complex.
in Acta crystallographica Section B, Structural science, crystal engineering and materials
Allan DR
(2014)
High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes.
in Acta crystallographica Section B, Structural science, crystal engineering and materials
Schwehm C
(2014)
Preparation and structural analysis of (±)-cis-ethyl 2-sulfanylidenedecahydro-1,6-naphthyridine-6-carboxylate and (±)-trans-ethyl 2-oxooctahydro-1H-pyrrolo[3,2-c]pyridine-5-carboxylate.
in Acta crystallographica. Section C, Structural chemistry
Savage M
(2016)
Selective Adsorption of Sulfur Dioxide in a Robust Metal-Organic Framework Material.
in Advanced materials (Deerfield Beach, Fla.)
Kathirgamanathan P
(2014)
Isolation and Characterisation of 2-Tert-butyl-8-hydroxyquinoline as a Crystalline Solid and Its Blue Fluorescent Li Complex
in Advances in Materials Science and Engineering
Dean WM
(2016)
Versatile C(sp(2) )-C(sp(3) ) Ligand Couplings of Sulfoxides for the Enantioselective Synthesis of Diarylalkanes.
in Angewandte Chemie (International ed. in English)
King DM
(2013)
Single-molecule magnetism in a single-ion triamidoamine uranium(V) terminal mono-oxo complex.
in Angewandte Chemie (International ed. in English)
Gardner BM
(2015)
An Inverted-Sandwich Diuranium µ-?(5):?(5)-Cyclo-P5 Complex Supported by U-P5 d-Bonding.
in Angewandte Chemie (International ed. in English)
Nicolle SM
(2015)
Stereoselective Synthesis of Highly Substituted Tetrahydrofurans through Diverted Carbene O-H Insertion Reaction.
in Angewandte Chemie (International ed. in English)
Callingham M
(2017)
Enantioselective Rhodium-Catalyzed Coupling of Arylboronic Acids, 1,3-Enynes, and Imines by Alkenyl-to-Allyl 1,4-Rhodium(I) Migration.
in Angewandte Chemie (International ed. in English)
Yap C
(2017)
Enantioselective Nickel-Catalyzed Intramolecular Allylic Alkenylations Enabled by Reversible Alkenylnickel E/Z Isomerization.
in Angewandte Chemie (International ed. in English)
Cleaves PA
(2014)
Two-electron reductive carbonylation of terminal uranium(V) and uranium(VI) nitrides to cyanate by carbon monoxide.
in Angewandte Chemie (International ed. in English)
Partridge BM
(2017)
Arylative Intramolecular Allylation of Ketones with 1,3-Enynes Enabled by Catalytic Alkenyl-to-Allyl 1,4-Rhodium(I) Migration.
in Angewandte Chemie (International ed. in English)
Nicolle SM
(2016)
Stereoselective Synthesis of Functionalized Pyrrolidines by the Diverted N-H Insertion Reaction of Metallocarbenes with ß-Aminoketone Derivatives.
in Angewandte Chemie (International ed. in English)
Gardner BM
(2015)
Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex.
in Angewandte Chemie (International ed. in English)
Lu E
(2014)
Synthesis, characterization, and reactivity of a uranium(VI) carbene imido oxo complex.
in Angewandte Chemie (International ed. in English)
Sharpe HR
(2017)
Iron(II)-Catalyzed Hydrophosphination of Isocyanates.
in Angewandte Chemie (International ed. in English)
Gregson M
(2013)
A cerium(IV)-carbon multiple bond.
in Angewandte Chemie (International ed. in English)
Cini M
(2015)
Asymmetric Pentafulvene Carbometalation--Access to Enantiopure Titanocene Dichlorides of Biological Relevance.
in Angewandte Chemie (International ed. in English)
Lu E
(2014)
The ketimide ligand is not just an inert spectator: heteroallene insertion reactivity of an actinide-ketimide linkage in a thorium carbene amide ketimide complex.
in Angewandte Chemie (International ed. in English)
Patel D
(2013)
An actinide Zintl cluster: a tris(triamidouranium)µ3-?2:?2:?2-heptaphosphanortricyclane and its diverse synthetic utility.
in Angewandte Chemie (International ed. in English)
Gardner BM
(2014)
Triamidoamine-uranium(IV)-stabilized terminal parent phosphide and phosphinidene complexes.
in Angewandte Chemie (International ed. in English)
Gardner BM
(2015)
Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex.
in Angewandte Chemie (Weinheim an der Bergstrasse, Germany)
Gardner BM
(2015)
An Inverted-Sandwich Diuranium µ-?5:?5-Cyclo-P5 Complex Supported by U-P5 d-Bonding.
in Angewandte Chemie (Weinheim an der Bergstrasse, Germany)
Burroughs L
(2015)
One-Pot Cannizzaro Cascade Synthesis of ortho -Fused Cycloocta-2,5-dien-1-ones from 2-Bromo(hetero)aryl Aldehydes
in Angewandte Chemie International Edition
Storr TE
(2015)
Combining two-directional synthesis and tandem reactions. Part 21: Exploitation of a dimeric macrocycle for chain terminus differentiation and synthesis of an sp(3)-rich library.
in Bioorganic & medicinal chemistry
Cully SJ
(2016)
Expedient synthesis of an atypical oxazolidinone compound library.
in Bioorganic & medicinal chemistry
Easun T
(2014)
Modification of coordination networks through a photoinduced charge transfer process
in Chem. Sci.
Perotto CU
(2015)
A Ni(i)Fe(ii) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases.
in Chemical communications (Cambridge, England)
O'Connor AE
(2016)
Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.
in Chemical communications (Cambridge, England)
Rawling MJ
(2015)
Facile access to a heterocyclic, sp(3)-rich chemical scaffold via a tandem condensation/intramolecular nitrone-alkene [3+2] cycloaddition strategy.
in Chemical communications (Cambridge, England)
Souto JA
(2014)
Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines.
in Chemical communications (Cambridge, England)
Gridley BM
(2013)
Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands.
in Chemical communications (Cambridge, England)
Sharpe HR
(2017)
Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.
in Chemical communications (Cambridge, England)
Nolla-Saltiel R
(2018)
Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.
in Chemical communications (Cambridge, England)
Llewellyn BA
(2016)
Thionated perylene diimides with intense absorbance in the near-IR.
in Chemical communications (Cambridge, England)
Chamberlain TW
(2015)
Switching intermolecular interactions by confinement in carbon nanotubes.
in Chemical communications (Cambridge, England)
Yan Y
(2013)
Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal-organic polyhedral framework
in Chemical Science
Gregson M
(2016)
Emergence of comparable covalency in isostructural cerium(iv)- and uranium(iv)-carbon multiple bonds.
in Chemical science
Slater AG
(2015)
Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly.
in Chemical science
Gregson M
(2016)
A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour.
in Chemical science
Zhu S
(2017)
Sulfonylative and Azidosulfonylative Cyclizations by Visible-Light-Photosensitization of Sulfonyl Azides in THF.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Cleaves PA
(2017)
Terminal Uranium(V/VI) Nitride Activation of Carbon Dioxide and Carbon Disulfide: Factors Governing Diverse and Well-Defined Cleavage and Redox Reactions.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Dawood RS
(2017)
Asymmetric Synthesis of Pyrrolidine-Containing Chemical Scaffolds via Tsuji-Trost Allylation of N-tert-Butanesulfinyl Imines.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Lu E
(2016)
Uranium Metalla-Allenes with Carbene Imido R2 C=U(IV) =NR' Units (R=Ph2 PNSiMe3 ; R'=CPh3 ): Alkali-Metal-Mediated Push-Pull Effects with an Amido Auxiliary.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Cooper OJ
(2013)
The nature of the U=C double bond: pushing the stability of high-oxidation-state uranium carbenes to the limit.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Description | This equipment grant has funded a number of major enhancements to the single crystal X-ray facilities which support a large part of our research effort: -the installation of a new very high intensity Rigaku Oxford Diffraction Xtalab MM007 rotating anode diffractometer - the installation of two new high intensity Rigaku Oxford Diffraction SuperNovaII diffractometers - the upgrade of our Rigaku Oxford Diffraction SuperNova to a dual-wavelength (Cu/Mo) instrument - the upgrade of our existing Rigaku Oxford Diffraction Mo microfocus source for high pressure crystallography. These enhancements have allowed us to conduct more demanding and ambitious experiments than were possible previously. For example, many samples which previously could only be studied in a limited manner during our sparse synchrotron beamtime could now be studied more extensively in-house, with significant benefits for our overall productivity. Two of the main groups of users (PIs Liddle and Schroder) moved to the University of Manchester in 2015, but the ramping up of the research efforts of new and existing research groups meant that the productivity of the new instruments increased during 2016. |
Exploitation Route | The acquisition of new and upgraded equipment has benefited many important areas of EPSRC-funded research within chemistry, materials, medicine and energy, such as sustainable chemistry, metal-organic frameworks, surface science, organic synthesis, catalysis, alkaline-earth chemistry, etc. |
Sectors | Chemicals,Education,Energy,Environment,Healthcare,Pharmaceuticals and Medical Biotechnology |
Description | Multiple publications have already resulted from this award. The equipment was upgraded by the suppliers in December 2015. New and exisiting equipment provided under the grant continues to support the research efforts of 20+ groups in the School of Chemistry, including those of new high-profile appointees and early-career researchers. |
First Year Of Impact | 2014 |
Sector | Chemicals,Education,Energy,Environment,Healthcare,Pharmaceuticals and Medical Biotechnology,Transport |
Description | EPSRC IAA fKTS |
Amount | £53,253 (GBP) |
Funding ID | RR0507 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start | 10/2014 |
End | 10/2015 |