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
Wu N
(2014)
1,4-Addition of TMSCCl3 to nitroalkenes: efficient reaction conditions and mechanistic understanding.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Bradley MA
(2017)
1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions.
in Dalton transactions (Cambridge, England : 2003)
Gregson M
(2013)
A cerium(IV)-carbon multiple bond.
in Angewandte Chemie (International ed. in English)
Gregson M
(2016)
A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour.
in Chemical science
Gomm A
(2016)
A New Generation of Smart Amine Donors for Transaminase-Mediated Biotransformations.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Markey SJ
(2013)
A new route to a-carbolines based on 6p-electrocyclization of indole-3-alkenyl oximes.
in Organic letters
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)
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)
Lü J
(2014)
A robust binary supramolecular organic framework (SOF) with high CO2 adsorption and selectivity.
in Journal of the American Chemical Society
Patel D
(2013)
A triamido-uranium(V) inverse-sandwich 10p-toluene tetraanion arene complex.
in Dalton transactions (Cambridge, England : 2003)
Robinson S
(2014)
Alkali metal derivatives of an ortho-phenylene diamine.
in Dalton transactions (Cambridge, England : 2003)
Moxey G
(2015)
Alkaline Earth Complexes of a Sterically Demanding Guanidinate Ligand
in European Journal of Inorganic Chemistry
Ortu F
(2013)
Alkaline earth complexes of silylated aminopyridinato ligands: homoleptic compounds and heterobimetallic coordination polymers.
in Inorganic chemistry
Benson O
(2016)
Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.
in Journal of the American Chemical Society
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
(2015)
An Inverted-Sandwich Diuranium µ-?(5):?(5)-Cyclo-P5 Complex Supported by U-P5 d-Bonding.
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 (Weinheim an der Bergstrasse, Germany)
Alsmail NH
(2014)
Analysis of high and selective uptake of CO2 in an oxamide-containing {Cu2(OOCR)4}-based metal-organic framework.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Drigo NA
(2017)
Approaches for Selective Synthesis of Ullazine Donor-Acceptor Systems.
in Chemistry (Weinheim an der Bergstrasse, Germany)
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)
Argent S
(2016)
Assembly of high nuclearity clusters from a family of tripodal tris-carboxylate ligands
in Polyhedron
Cini M
(2015)
Asymmetric Pentafulvene Carbometalation--Access to Enantiopure Titanocene Dichlorides of Biological Relevance.
in Angewandte Chemie (International ed. in English)
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)
Moragas T
(2014)
Asymmetric synthesis of trisubstituted aziridines via aza-Darzens reaction of chiral sulfinimines.
in Organic letters
O'Connor AE
(2016)
Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.
in Chemical communications (Cambridge, England)
Slater A
(2013)
Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties
in The Journal of Organic Chemistry
Nicolle SM
(2017)
C-H Insertion as a Key Step to Spiro-Oxetanes, Scaffolds for Drug Discovery.
in Chemistry (Weinheim an der Bergstrasse, Germany)
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
Zanatta M
(2016)
Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case.
in Physical chemistry chemical physics : PCCP
Gridley BM
(2013)
Conformational isomerism in monomeric, low-coordinate group 12 complexes stabilized by a naphthyl-substituted m-terphenyl ligand.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Lü J
(2015)
Control of Assembly of Dihydropyridyl and Pyridyl Molecules via Directed Hydrogen Bonding.
in Crystal growth & design
Quinn S
(2017)
Core-Substituted Naphthalene Diimides: Influence of Substituent Conformation on Strong Visible Absorption.
in ChemPlusChem
Gridley BM
(2013)
Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands.
in Chemical communications (Cambridge, England)
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)
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)
Aliev S
(2015)
Dilithium cyclohexanediacetate: A layered coordination polymer with non-valent hydrophobic contacts
in Journal of Structural Chemistry
Eccleshare L
(2016)
Diversification of ortho-Fused Cycloocta-2,5-dien-1-one Cores and Eight- to Six-Ring Conversion by s Bond C-C Cleavage.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Delor M
(2014)
Dynamics of ground and excited state vibrational relaxation and energy transfer in transition metal carbonyls.
in The journal of physical chemistry. B
Bikas R
(2017)
Electronic Effects of Aromatic Rings on the Catalytic Activity of Dioxidomolybdenum(VI)-Hydrazone Complexes
in European Journal of Inorganic Chemistry
Gregson M
(2016)
Emergence of comparable covalency in isostructural cerium(iv)- and uranium(iv)-carbon multiple bonds.
in Chemical science
Yap C
(2017)
Enantioselective Nickel-Catalyzed Intramolecular Allylic Alkenylations Enabled by Reversible Alkenylnickel E/Z Isomerization.
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)
Kathirgamanathan P
(2015)
Energy level tuning of blue emitting and electron transporting vinylene bis(vinyl quinolinyl)benzene derivatives: synthesis, characterisation, thin film characterisation and performance in OLEDs
in Journal of Materials Chemistry C
Krap CP
(2016)
Enhancement of CO2 Adsorption and Catalytic Properties by Fe-Doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3',5,5'-tetracarboxylic Acid), MFM-300(Ga2).
in Inorganic chemistry
Tidey JP
(2015)
Epitaxial Retrieval of a Disappearing Polymorph.
in Crystal growth & design
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 |