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
Rehman S
(2013)
New dicoumarol sodium compound: crystal structure, theoretical study and tumoricidal activity against osteoblast cancer cells.
in Chemistry Central journal
Richards V
(2013)
Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology
in CrystEngComm
Richards V
(2013)
Porphyrin-Based Metal Organic Frameworks: Unusual examples of Mn(II) carboxylate frameworks containing free-base porphyrins.
in Zeitschrift für Kristallographie - Crystalline Materials
Robinson S
(2014)
Alkali metal derivatives of an ortho-phenylene diamine.
in Dalton transactions (Cambridge, England : 2003)
Sagar S
(2017)
Cubane-like tetranuclear Cu(ii) complexes bearing a Cu4O4 core: crystal structure, magnetic properties, DFT calculations and phenoxazinone synthase like activity.
in Dalton transactions (Cambridge, England : 2003)
Sapianik AA
(2017)
Rational Synthesis and Investigation of Porous Metal-Organic Framework Materials from a Preorganized Heterometallic Carboxylate Building Block.
in Inorganic chemistry
Savage M
(2016)
Selective Adsorption of Sulfur Dioxide in a Robust Metal-Organic Framework Material.
in Advanced materials (Deerfield Beach, Fla.)
Savage M
(2014)
A novel bismuth-based metal-organic framework for high volumetric methane and carbon dioxide adsorption.
in Chemistry (Weinheim an der Bergstrasse, Germany)
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
Sharpe HR
(2017)
Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes.
in Chemical communications (Cambridge, England)
Sharpe HR
(2017)
Iron(II)-Catalyzed Hydrophosphination of Isocyanates.
in Angewandte Chemie (International ed. in English)
Slater A
(2013)
Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties
in The Journal of Organic Chemistry
Slater AG
(2015)
Thymine functionalised porphyrins, synthesis and heteromolecular surface-based self-assembly.
in Chemical science
Souto JA
(2014)
Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines.
in Chemical communications (Cambridge, England)
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
Tidey J
(2014)
Structural chemistry of metal coordination complexes at high pressure
in Coordination Chemistry Reviews
Tidey JP
(2015)
Epitaxial Retrieval of a Disappearing Polymorph.
in Crystal growth & design
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
Uroos M
(2017)
Total synthesis of (-)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (-)-pinocarvone.
in Organic & biomolecular chemistry
Vatsadze S
(2017)
Piperazine-Based N4-Type 16-Membered Macroheterocycles and Their Nickel(II) Complexes
in Macroheterocycles
Wahl B
(2014)
Nucleophilic addition of TMSCCl3 to N-phosphinoyl benzaldimines: a route to N-phosphinoyl-a-(trichloromethyl)benzylamines
in Tetrahedron Letters
Wooles A
(2013)
ß-Diketiminate Derivatives of Alkali Metals and Uranium
in Organometallics
Wu N
(2014)
1,4-Addition of TMSCCl3 to nitroalkenes: efficient reaction conditions and mechanistic understanding.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Yan Y
(2013)
Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal-organic polyhedral framework
in Chemical Science
Yan Y
(2014)
Studies on metal-organic frameworks of Cu(II) with isophthalate linkers for hydrogen storage.
in Accounts of chemical research
Yan Y
(2017)
Porous Metal-Organic Polyhedral Frameworks with Optimal Molecular Dynamics and Pore Geometry for Methane Storage.
in Journal of the American Chemical Society
Yan Y
(2016)
Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.
in Journal of the American Chemical Society
Yan Y
(2018)
Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).
in Journal of the American Chemical Society
Yang S
(2013)
Irreversible network transformation in a dynamic porous host catalyzed by sulfur dioxide.
in Journal of the American Chemical Society
Yap C
(2017)
Enantioselective Nickel-Catalyzed Intramolecular Allylic Alkenylations Enabled by Reversible Alkenylnickel E/Z Isomerization.
in Angewandte Chemie (International ed. in English)
Zanatta M
(2016)
Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case.
in Physical chemistry chemical physics : PCCP
Zavakhina M
(2016)
Synthesis and characterization of chiral copper(ii) coordination polymers with 4,4´-bipyridine and lactic acid derivatives
in Russian Chemical Bulletin
Zavakhina MS
(2017)
Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.
in Dalton transactions (Cambridge, England : 2003)
Zhu S
(2017)
Sulfonylative and Azidosulfonylative Cyclizations by Visible-Light-Photosensitization of Sulfonyl Azides in THF.
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 |