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The UK Dynamic Nuclear Polarisation Magic Angle Spinning NMR Facility

Lead Research Organisation: University of Manchester
Department Name: Chem Eng and Analytical Science

Abstract

Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
 
Description Passivation by Ultimate Ligand-Surface Activation Rationalized by NMR
Amount £200,511 (GBP)
Funding ID EP/Y023781/1 
Organisation Engineering and Physical Sciences Research Council (EPSRC) 
Sector Public
Country United Kingdom
Start 01/2024 
End 01/2026
 
Description Functional Framework Materials: Design and Characterisation 
Organisation University of Manchester
Country United Kingdom 
Sector Academic/University 
PI Contribution Solid-state NMR characterisation of functional framework materials
Collaborator Contribution Synthesis and characterisation (besides NMR) of functional framework materials
Impact This is a multi-disciplinary collaboration involving synthetic chemists, physical chemists for analytical chemistry, chemical engineers, materials scientists, and quantum chemical calculations. One outcome is the award of the 2024 RSC Dalton Horizon Prize. Outputs are mainly publications: 1. Atomically Dispersed Copper Sites in a Metal-Organic Framework for Reduction of Nitrogen Dioxide. Ma, Y.; Han, X.; Xu, S.; Wang, Z.; Li, W.; da Silva, I.; Chansai, S.; Lee, D.; Zou, Y.; Nikiel, M.; Manuel, P.; Sheveleva, A. M.; Tuna, F.; McInnes, E. J. L.; Cheng, Y.; Rudic, S.; Ramirez-Cuesta, A. J.; Haigh, S. J.; Hardacre, C.; Schröder, M.; and Yang, S. Journal of the American Chemical Society, 143(29): 10977-10985. 2021. 2. Efficient Photocatalytic Reduction of CO2 Catalyzed by the Metal-Organic Framework MFM-300(Ga). Luo, T.; Wang, Z.; Han, X.; Chen, Y.; Iuga, D.; Lee, D.; An, B.; Xu, S.; Kang, X.; Tuna, F.; McInnes, E. J. L.; Hughes, L.; Spencer, B. F.; Schröder, M.; and Yang, S. CCS Chemistry, 4(8): 2560-2569. 2022. 3. Direct Observation of Ammonia Storage in UiO-66 Incorporating Cu(II) Binding Sites. Ma, Y.; Lu, W.; Han, X.; Chen, Y.; da Silva, I.; Lee, D.; Sheveleva, A. M.; Wang, Z.; Li, J.; Li, W.; Fan, M.; Xu, S.; Tuna, F.; McInnes, E. J. L.; Cheng, Y.; Rudic, S.; Manuel, P.; Frogley, M. D.; Ramirez-Cuesta, A. J.; Schröder, M.; and Yang, S. Journal of the American Chemical Society, 144(19): 8624-8632. 2022. 4. Bimetallic Aluminum- and Niobium-Doped MCM-41 for Efficient Conversion of Biomass-Derived 2-Methyltetrahydrofuran to Pentadienes. Fan, M.; Xu, S.; An, B.; Sheveleva, A. M.; Betts, A.; Hurd, J.; Zhu, Z.; He, M.; Iuga, D.; Lin, L.; Kang, X.; Parlett, C. M. A.; Tuna, F.; McInnes, E. J. L.; Keenan, L. L.; Lee, D.; Attfield, M. P.; and Yang, S. Angewandte Chemie International Edition, 61(51). 2022. 5. High capacity ammonia adsorption in a robust metal-organic framework mediated by reversible host-guest interactions. Guo, L.; Han, X.; Ma, Y.; Li, J.; Lu, W.; Li, W.; Lee, D.; da Silva, I.; Cheng, Y.; Rudic, S.; Manuel, P.; Frogley, M. D.; Ramirez-Cuesta, A. J.; Schröder, M.; and Yang, S. Chemical Communications, 58(38): 5753-5756. 2022. 6. Direct Synthesis of N-formamides by Integrating Reductive Amination of Ketones and Aldehydes with CO2 Fixation in a Metal-Organic Framework. Huang, W.; Mei, Q.; Xu, S.; An, B.; He, M.; Li, J.; Chen, Y.; Han, X.; Luo, T.; Guo, L.; Hurd, J.; Lee, D.; Tillotson, E.; Haigh, S. J.; Walton, A.; Day, S. J.; Natrajan, L. S.; Schröder, M.; and Yang, S. Chemistry - A European Journal, 30(7): e202303289. 2023. 7. Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal-Organic Framework. Ma, Y.; Han, X.; Xu, S.; Li, Z.; Lu, W.; An, B.; Lee, D.; Chansai, S.; Sheveleva, A. M.; Wang, Z.; Chen, Y.; Li, J.; Li, W.; Cai, R.; da Silva, I.; Cheng, Y.; Daemen, L. L.; Tuna, F.; McInnes, E. J. L.; Hughes, L.; Manuel, P.; Ramirez-Cuesta, A. J.; Haigh, S. J.; Hardacre, C.; Schröder, M.; and Yang, S. Journal of the American Chemical Society, 145(38): 20792-20800. 2023. 8. Modulation of Uptake and Reactivity of Nitrogen Dioxide in Metal-Organic Framework Materials. Wang, Z.; Sheveleva, A. M.; Lee, D.; Chen, Y.; Iuga, D.; Franks, W. T.; Ma, Y.; Li, J.; Li, L.; Cheng, Y.; Daemen, L. L.; Days, S. J.; Ramirez-Cuesta, A. J.; Han, B.; Eggeman, A. S.; McInnes, E. J. L.; Tuna, F.; Yang, S.; and Schröder, M. Angewandte Chemie International Edition, 62(28): e202302602. 2023. 9. Ultra-fast Proton Conduction and Photocatalytic Water Splitting in a Pillared Metal-Organic Framework. Chen, J.; An, B.; Chen, Y.; Han, X.; Mei, Q.; He, M.; Cheng, Y.; Vitorica-Yrezabal, I. J.; Natrajan, L. S.; Lee, D.; Ramirez-Cuesta, A. J.; Yang, S.; and Schröder, M. Journal of the American Chemical Society, 145(35): 19225-19231. 2023. 10. Control of the pore chemistry in metal-organic frameworks for efficient adsorption of benzene and separation of benzene/cyclohexane. Han, Y.; Chen, Y.; Ma, Y.; Bailey, J.; Wang, Z.; Lee, D.; Sheveleva, A. M.; Tuna, F.; McInnes, E. J.; Frogley, M. D.; Day, S. J.; Thompson, S. P.; Spencer, B. F.; Nikiel, M.; Manuel, P.; Crawshaw, D.; Schröder, M.; and Yang, S. Chem, 9(3): 739-754. 2023. 11. Efficient capture and storage of ammonia in robust aluminium-based metal-organic frameworks. Guo, L.; Hurd, J.; He, M.; Lu, W.; Li, J.; Crawshaw, D.; Fan, M.; Sapchenko, S.; Chen, Y.; Zeng, X.; Kippax-Jones, M.; Huang, W.; Zhu, Z.; Manuel, P.; Frogley, M. D.; Lee, D.; Schröder, M.; and Yang, S. Communications Chemistry, 6(1): 55. 2023. 12. Exceptional capture of methane at low pressure by an iron-based metal-organic framework. Ma, Y.; Li, C.; Guo, L.; Lu, W.; Cheng, Y.; Han, X.; Li, J.; Crawshaw, D.; He, M.; Shan, L.; Lee, D.; Da Silva, I.; Manuel, P.; Ramirez-Cuesta, A. J.; Schröder, M.; and Yang, S. Chemistry - A European Journal, 30: e202303934. 2023. 13. Efficient electrochemical reduction of nitrate to ammonia over metal-organic framework single-atom catalysts. Shan, L.; Ma, Y.; Xu, S.; Zhou, M.; He, M.; Sheveleva, A. M.; Cai, R.; Lee, D.; Cheng, Y.; Tang, B.; Han, B.; Chen, Y.; An, L.; Zhou, T.; Wilding, M.; Eggeman, A. S.; Tuna, F.; McInnes, E. J. L.; Day, S. J.; Thompson, S. P.; Haigh, S. J.; Kang, X.; Han, B.; Schröder, M.; and Yang, S. Communications Materials, 5(1): 104. 2024. 14. Trace benzene capture by decoration of structural defects in metal-organic framework materials. Han, Y.; Huang, W.; He, M.; An, B.; Chen, Y.; Han, X.; An, L.; Kippax-Jones, M.; Li, J.; Yang, Y.; Frogley, M. D.; Li, C.; Crawshaw, D.; Manuel, P.; Rudic, S.; Cheng, Y.; Silverwood, I.; Daemen, L. L.; Ramirez-Cuesta, A. J.; Day, S. J.; Thompson, S. P.; Spencer, B. F.; Nikiel, M.; Lee, D.; Schröder, M.; and Yang, S. Nature Materials, 23(11): 1531-1538. 2024. 15. Direct Observation of Enhanced Iodine Binding within a Series of Functionalized Metal-Organic Frameworks with Exceptional Irradiation Stability. Li, J.; Zhang, X.; Fan, M.; Chen, Y.; Ma, Y.; Smith, G. L.; Vitorica-yrezabal, I. J.; Lee, D.; Xu, S.; Schröder, M.; and Yang, S. Journal of the American Chemical Society, 146(20): 14048-14057. 2024. 16. Selective production of olefins from methanol over a heteroatomic SAPO-34 zeolite. Zhu, Z.; Fan, M.; He, M.; An, B.; Chen, Y.; Xu, S.; Zhou, T.; Sheveleva, A. M.; Kippax-Jones, M.; Shan, L.; Cheng, Y.; Cavaye, H.; Armstrong, J.; Rudic, S.; Parker, S. F.; Thornley, W.; Tillotson, E.; Lindley, M.; Tian, S.; Lee, D.; Fu, S.; Frogley, M. D.; Tuna, F.; McInnes, E. J.; Haigh, S. J.; and Yang, S. Science Bulletin, S2095927324009873. 2025.
Start Year 2021
 
Description d- and f-block metal chemistry 
Organisation University of Manchester
Country United Kingdom 
Sector Academic/University 
PI Contribution Using solid-state NMR spectroscopy to understand the chemistry of d- and f-element complexes
Collaborator Contribution Synthesis and theoretical/computational calculations of d- and f-element complexes
Impact This is a multi-disciplinary collaboration involving synthetic chemists, quantum chemical calculations, and physical chemistry for characterisation. Outputs have been in the form of publications, two of which are listed as they have been directly acknowledged as resulting from this project. They are: 1. Exceptional uranium(VI)-nitride triple bond covalency from 15N nuclear magnetic resonance spectroscopy and quantum chemical analysis. Du, J.; Seed, J. A.; Berryman, V. E. J.; Kaltsoyannis, N.; Adams, R. W.; Lee, D.; and Liddle, S. T. Nature Communications, 12(1): 5649. 2021. 2. 31P Nuclear Magnetic Resonance Spectroscopy as a Probe of Thorium-Phosphorus Bond Covalency: Correlating Phosphorus Chemical Shift to Metal-Phosphorus Bond Order. Du, J.; Hurd, J.; Seed, J. A.; Balázs, G.; Scheer, M.; Adams, R. W.; Lee, D.; and Liddle, S. T. Journal of the American Chemical Society, 145(40): 21766-21784. 2023. 3. 13Ccarbene nuclear magnetic resonance chemical shift analysis confirms Ce{IV}=C double bonding in cerium-diphosphonioalkylidene complexes. Baker, C. F.; Seed, J. A.; Adams, R. W.; Lee, D.; and Liddle, S. T. Chemical Science, 15(1): 238-249. 2024. 4. Tris-Silanide f-Block Complexes: Insights into Paramagnetic Influence on NMR Chemical Shifts. Réant, B. L. L.; Mackintosh, F. J.; Gransbury, G. K.; Mattei, C. A.; Alnami, B.; Atkinson, B. E.; Bonham, K. L.; Baldwin, J.; Wooles, A. J.; Vitorica-Yrezabal, I. J.; Lee, D.; Chilton, N. F.; Liddle, S. T.; and Mills, D. P. JACS Au, 4(7): 2695-2711. 2024. 5. 31 P NMR Chemical Shift Anisotropy in Paramagnetic Lanthanide Phosphide Complexes. Baldwin, J.; Bonham, K. L.; Thompson, T. R. C.; Gransbury, G. K.; Whitehead, G. F. S.; Vitorica-Yrezabal, I. J.; Lee, D.; Chilton, N. F.; and Mills, D. P. JACS Au,jacsau.4c01018. 2025.
Start Year 2021