Calcium fluoride offers a safe, readily available alternative to hydrogen fluoride in the production of fluoride-containing molecules and materials, but is plagued by poor solubility and low reactivity. We will address these problems by synthesizing soluble molecular complexes containing Ca-F bonds, employing (i) sterically encumbered multidentate ligands to prevent aggregation, (ii) a range of spectroscopic, crystallographic and quantum chemical methods to probe structure; and (iii) model B-F/C-F bond-forming reactions to benchmark performance as nucleophilic sources of fluoride.

Useful links:
Harnessing the reactivity of alkali metal fluoride (Science 2018, 360, 638)
Use of similar ligand frameworks to support a molecular aluminium oxide (Angew. Chem. Int. Ed. 2019, 58, 17265)

For further details please contact Simon Aldridge (simon.aldridge@chem.ox.ac.uk) or Véronique Gouverneur (veronique.gouverneur@chem.ox.ac.uk)

This project will focus on the synthesis of porphyrin arrays with paramagnetic metal centres (e.g. Cu²⁺, Ag²⁺ or Gd³⁺) at precisely defined spatial positions and the investigation of long-range interactions between these cations by electron paramagnetic resonance (EPR) spectroscopy. The aim is to gain understanding of quantum interference.

Useful links:
Constructive quantum interference in a bis-copper six-porphyrin nanoring (Nature Comm. 2017, 8, 14842)
Shadow Mask Templates for Site‐Selective Metal Exchange in Magnesium Porphyrin Nanorings (Angew. Chem. Int. Ed. 2018, 57, 7874)

For further details please contact Harry L. Anderson (harry.anderson@chem.ox.ac.uk)

Molecularly-made graphene nanoribbons allow combining efficient charge transport with spin properties, if they are functionalized with metals. Recently, we demonstrated that the spin states injected via organic radials have appealing quantum properties. Coordination with metals on the edges , instead of using organic radicals, would allow shaping their topological and quantum properties. This project aims to establish the coordination chemistry of molecular graphene nanoribbons, focusing on rare-earth compounds in particular, and characterize them by transport, optical spectroscopy, pulsed EPR spectroscopy and SQUID magnetometry.

Useful links:
Magnetic edge states and coherent manipulation of graphene nanoribbons (Nature 2018, 557, 691)

For further details please contact Lapo Bogani (lapo.bogani@materials.ox.ac.uk)

DNA and RNA form the basis for many biotechnologies, including cell-free expression and gene editing and silencing. In this project functionalised nanoparticles will be designed to control the activity of DNA/RNA using a magnetic field; an external, tissue penetrating, and biocompatible stimulus, ideal for future therapeutic application.

Useful links:
Light-activated communication in synthetic tissues (Sci. Adv. 2016, 2, e1600056)
Magnetic Nanoparticles Supporting Bio-responsive T₁/T₂ Magnetic Resonance Imaging (Materials 2019, 12, 4096)
Externally Induced Drug Release Systems with Magnetic Nanoparticle Carriers: An Emerging Field in Nanomedicine (Adv. Therap. 2019, 2, 1800092)

For further details please contact Michael Booth (michael.booth@chem.ox.ac.uk)

This project will involve control of crystal structure and electron count in layered oxide chalcogenides and oxide pnictides in order to realise potential new thermoelectric materials with the almost contradictory properties of high thermopower, high electronic conductivity and low thermal conductivity. High and low temperature synthetic methods will be employed together with a wide range of physical and structural characterisation methods to establish structure-property relationships.

Useful links:
Complex Microstructure and Magnetism in Polymorphic CaFeSeO (Inorg. Chem. 2016, 55, 10714)
Soft chemical control of the crystal and magnetic structure of a layered mixed valent manganite oxide sulfide (APL Materials 2015, 3, 041520)
Synthesis, Structure, and Compositional Tuning of the Layered Oxide Tellurides Sr₂MnO₂Cu_2-xTe₂ and Sr₂CoO₂Cu₂Te₂ (Inorg. Chem. 2019, 58, 8140)

For further details please contact Simon Clarke (simon.clarke@chem.ox.ac.uk)

Li-ion batteries for mobile power applications are key modern materials. New compounds are required which use cheap abundant elements in order to enable scaling of this technology for automotive applications. This project will focus on the synthesis of new oxides and oxide chalcogenides using diverse techniques and their structural and physical characterisation and electrochemical performance.

Useful links:
Layered Oxysulfides Sr₂MnO₂Cu_2m-0.5S_m+1 (m = 1, 2, and 3) as Insertion Hosts for Li Ion Batteries (J. Am. Chem. Soc. 2006, 128, 13354)
Synthesis and Magnetism of Extended Solids Containing Transition-Metal Cations in Square-Planar, MO₄ Coordination Sites (Inorg. Chem. 2019, 58, 11961)

For further details please contact Simon Clarke (simon.clarke@chem.ox.ac.uk) or Michael Hayward (michael.hayward@chem.ox.ac.uk)

This project will combine state-of-the-art supramolecular / coordination complex design and synthesis with molecular film electronic and optical analysis. The aims are to (i) develop novel responsive, sensory films that incorporate inorganic coordination complexes as receptors for anionic species, with switchable functionality, and supported within electrode-mounted lipid membranes; and (ii) to explore how the capture of target anions such as peptides can be detected through ultra-sensitive optical or electronic sensing response.

Useful links:
Davis group: http://research.chem.ox.ac.uk/jason-davis.aspx
Langton group: http://research.chem.ox.ac.uk/matthew-langton.aspx

For further details please contact Jason Davis (jason.davis@chem.ox.ac.uk) or Matthew Langton (matthew.langton@chem.ox.ac.uk)

The paediatric cancer diffuse intrinsic pontine glioma (DIPG) has a survival rate of just 1% at 5 years and new therapeutic approaches are urgently needed. This project involves the synthesis of novel, multi-modal Pt(IV) prodrugs in which active drugs, targeting features and/or sensitising groups are coordinated to a platinum (IV) scaffold.

Useful links:
Potential New Therapies for Pediatric Diffuse Intrinsic Pontine Glioma (Front. Pharmacol. 2017, 8, 495)
Oxaliplatin and [Pt(R,R-DACH)(panobinostat_-2H)] show nanomolar cytotoxicity towards diffuse intrinsic pontine glioma (DIPG) (Dalton Trans. 2020, 5703)
What do we know about the reduction of Pt(IV) pro-drugs? (J. Inorg. Biochem. 2012, 117, 220)
Functionally defined therapeutic targets in diffuse intrinsic pontine glioma (Nat. Med. 2015, 21, 555)

For further details please contact Nicola Farrer (nicola.farrer@chem.ox.ac.uk)

This project involves the synthesis of platinum(IV) complexes and investigation of their activation/reduction and biological activity using a range of X-ray sources.

For further details please contact Nicola Farrer (nicola.farrer@chem.ox.ac.uk)

This project will explore the preparation, chemical and biological properties and photophysical and photochemical function of multi-metallic d-f complexes.

Useful links:
Farrer group: http://farrer.chem.ox.ac.uk

For further details please contact Nicola Farrer (nicola.farrer@chem.ox.ac.uk)

This project will explore the preparation, properties and function of multi metallic complexes that can be used to explore oxygen concentration in cells, not only to study oxygen concentration in real time, but also to explore the cell’s past history of reduced oxygen levels.

Useful links:
Faulkner group: http://faulkner.chem.ox.ac.uk
Conway group: http://conway.chem.ox.ac.uk
redOX⇌KCL programme: http://redox.chem.ox.ac.uk

For further details please contact Stephen Faulkner (stephen.faulkner@chem.ox.ac.uk)

Our goal is to explore the incorporation of phosphorus-containing motifs (such as triazaphospholes) into mechanically interlocked molecules (rotaxanes and catenanes). These strongly Lewis basic phosphorus sites will allow for the complexation of guests that are otherwise challenging to trap with conventional interlocked systems. We will also explore the use of such supramolecular architectures as frustrated Lewis pair components for the activation of small molecule substrates such as H₂ and CO₂.

Useful links:
The Chemistry of the 2‐Phosphaethynolate Anion (Angew. Chem. Int. Ed. 2018, 57, 16968)
Chalcogen Bonding Macrocycles and [2]Rotaxanes for Anion Recognition (J. Am. Chem. Soc. 2017, 139, 3122)

For further details please contact Jose M. Goicoechea (jose.goicoechea@chem.ox.ac.uk)

The aim of this project is to synthesise compounds of the heavier main-group elements with unprecedented heteroatomic multiple bonds (e.g. Al=P). Preliminary work by the Goicoechea group has shown that such bonds are highly polarised and can be used for the activation of small molecule substrates such as H2 and CO2. Our goal is to build on these results with the aim of developing compounds that may ultimately be able to act as catalysts in a number of chemical processes including hydrogenation and hydroamination reactions.

Useful links:
A phosphanyl-phosphagallene that functions as a frustrated Lewis pair (Angew. Chem. Int. Ed. 2020, 59, Accepted)

For further details please contact Jose M. Goicoechea (jose.goicoechea@chem.ox.ac.uk)

This project will combine synthesis, experimental characterisation, and machine-learning-driven simulations of a series of disordered layered dicyanometallates. Our ultimate goal is to learn how to use compositional disorder in these materials to tune vibrational properties – and hence thermal transport – as a means of developing new design rules for thermoelectrics (materials that convert waste heat to electricity).

Useful links:
Dicyanometallates as Model Extended Frameworks (J. Am. Chem. Soc. 2016, 138, 5886)
Design of crystal-like aperiodic solids with selective disorder–phonon coupling (Nature Comm. 2016, 7, 10445)

For further details please contact Andrew Goodwin (andrew.goodwin@chem.ox.ac.uk)

Prussian blue analogues are one of the most important new families of cathode materials for Na and K-ion batteries: they are cheap and chemically versatile, and have both high charge capacities and long cycle lives. Their solid-state structures are characterised by complex disordered networks of vacancies, and this project is concerned with developing synthetic control over these networks to optimise cathode performance.

Useful links:
Hidden diversity of vacancy networks in Prussian blue analogues (Nature 2020, 578, 256)
Prussian Blue Analogs as Battery Materials (Joule 2018, 2, 1950)

For further details please contact Andrew Goodwin (andrew.goodwin@chem.ox.ac.uk)

This project will investigate new routes for creating functional graded hexagonal boron nitride (h-BN) fibres. It will integrate the chemical design/synthesis of novel molecular and polymer B/N-containing precursors (Aldridge group) and the application of a blow-spinning methodology (Grobert group) to produce polymer fibre in an efficient, inexpensive and environmentally friendly manner.

Useful links:
Rhodium and Iridium Aminoborane Complexes: Coordination Chemistry of BN Alkene Analogues (Angew. Chem. Int. Ed. 2010, 49, 921)
Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes (Chem. Commun. 2012, 48, 8096)

Grobert group: http://www-grobert.materials.ox.ac.uk
Aldridge group: http://research.chem.ox.ac.uk/simon-aldridge.aspx


For further details please contact Nicole Grobert (nicole.grobert@materials.ox.ac.uk) or Simon Aldridge (simon.aldridge@chem.ox.ac.uk)

This project will develop coordination complexes and supramolecular systems able to mediate catalysis and molecular transport processes inside nanoscale compartments fabricated from lipid and polymer membranes. The research work will combine synthetic chemistry with quantitative self-assembly studies; fabrication of nanoscale containers such as polymersomes and synthetic tissues; and a range of biophysical techniques.

Useful links:
Langton group: http://research.chem.ox.ac.uk/matthew-langton.aspx
Bayley group: http://research.chem.ox.ac.uk/hagan-bayley.aspx

For further details please contact Matthew Langton (matthew.langton@chem.ox.ac.uk)

This project will focus on developing new synthetic methods and understanding the mechanism behind release and delivery of active biological agents using layered double hydroxide. For example, we will aim to develop new nanocomposites to solve one of the major challenges in cancer therapy.

Useful links:
Immunity induced by a broad class of inorganic crystalline materials is directly controlled by their chemistry (J. Exp. Med. 2014, 211, 1019)
Complementary Effects of Porosigen and Stabilizer on the Structure of Hollow Porous Poly(lactic-co-glycolic acid) Microparticles (ACS Appl. Polym. Mater. 2020, 2, 3696)

O'Hare group: http://ohare.chem.ox.ac.uk/
Kwan group: https://www.kwanrg.org/research

For further details please contact Dermot O’Hare (dermot.ohare@chem.ox.ac.uk)

This project will involve the synthesis and characterisation of new low valent, metal complexes supported by ligand sets that can facilitate stereoselectivity. The focus will be to achieve selective synthesis of green, biodegradable polymeric materials through sustainable chemistry.

Useful links:
Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers (Organometallics 2014, 33, 3891)
Bismuth Pyridine Dipyrrolide Complexes: a Transient Bi(II) Species Which Ring Opens Cyclic Ethers (Inorg. Chem. 2019, 58, 14212)

O'Hare group: http://ohare.chem.ox.ac.uk/
Turner group: http://research.chem.ox.ac.uk/zoe-turner.aspx

For further details please contact Dermot O’Hare (dermot.ohare@chem.ox.ac.uk)

This project is concerned with exciting synthesis, testing and characterization of novel catalytically active metal oxide shell on magnetic core as nanocomposites for photocatalytic splitting of water. Rational synthesis using chemical precursors and surfactants in solution to tailor the composite structures will be combined with advance material characterization including mass photometry, diffraction, magnetic measurements, electron microscopy and computation (to guide synthesis) for the catalytic study.

Useful links:
Photocatalytic water splitting by N-TiO₂ on MgO (111) with exceptional quantum efficiencies at elevated temperatures (Nature Comm. 2019, 10, 4421)
2D photocatalysts with tuneable supports for enhanced photocatalytic water splitting (Material Today 2020, Accepted)

For further details please contact Edman Tsang (edman.tsang@chem.ox.ac.uk)

This project is concerned with novel synthesis, testing, and characterization of transition metal nitride and sulphide nanostructures as new catalysts for green NH₃ production from H₂ and N₂ at mild conditions, i.e., room temperature, under controlled ultrasonic cavitation for fertilizer and use in energy. Rational synthesis using various solid-state synthetic techniques including MOCVD to establish the structures and surfaces for optimal catalysis will be combined with advance material characterization including diffraction, electron microscopy, and computation (to guide the synthesis).

Useful links:
Reaction: “Green” Ammonia Production (Chem 2017, 3, 712)
MoS₂ monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction (Nature Chem. 2017, 9, 810)

For further details please contact Edman Tsang (edman.tsang@chem.ox.ac.uk)

This project is concerned with synthesis, testing and characterization of transition metal oxide and mixed oxides on internal surfaces of 3-D zeolites and metal organic frameworks (MOFs). Rational synthesis using organometallic complex precursors via MOCVD or related deposition techniques to tailor the structure in the internal surfaces of defined porous materials will be combined with advance material characterization including diffraction, electron microscopy and computation (to guide synthesis) for catalytic CO₂/H₂ to higher alcohols.
Useful links:
Reaction: “Green” Ammonia Production (Chem 2017, 3, 712)
Selective C₂₊ Alcohol Synthesis from Direct CO₂ Hydrogenation over a Cs-Promoted Cu-Fe-Zn Catalyst (ACS Catal. 2020, 10, 5250)

For further details please contact Edman Tsang (edman.tsang@chem.ox.ac.uk)

The project unites methods for synthesis of selectively isotope-labelled small molecules (Vincent group) with incorporation of these labels into large proteins for NMR structure determination (Baldwin group). We use biocatalytic approaches to synthesise labelled amino acids and other biomolecules from the cheapest 13C, 15N and 2H building blocks. Target proteins are then produced by fermentation of E. coli on isotopically labelled pre-cursors, for study by advanced NMR methods. The project is expected to lead to new, economical synthetic routes for labelled biomolecules, thus providing valuable resources for drug docking studies as well as structural biology more generally.

Useful links:
Vincent group: http://vincent.chem.ox.ac.uk/
Baldwin group: http://baldwinlab.chem.ox.ac.uk/

For further details please contact Kylie Vincent (kylie.vincent@chem.ox.ac.uk)

There is an urgent need for catalysts that recycle plastics. We have developed novel catalysis that shows great promise for the chemical recycling of waste polycarbonates, e.g. polypropylene carbonate, and polyesters, e.g. polylactide. The goal of this project is to move beyond our proof of principle, understand the kinetics and mechanisms underpinning recycling catalysis, and design new catalysts with the goal of generating a truly scalable closed loop recycling.

Useful links:
Switchable Catalysis Improves the Properties of CO₂-Derived Polymers: Poly(cyclohexene carbonate-b-ε-decalactone-b-cyclohexene carbonate) Adhesives, Elastomers, and Toughened Plastics (J. Am. Chem. Soc. 2020, 142, 4367)
(Green Chem. 2020, under revision)

For further details please contact Charlotte Williams (charlotte.williams@chem.ox.ac.uk)

The alternating copolymerization of epoxides and carbon dioxide is a viable means to valorize waste gases, produce useful polymeric products and reduce pollution compared to currently used processes. Here, heterobimetallic catalysts comprising combinations of Group 1/M(III), e.g. Na/Co(III); Na/Fe(III), K/Al(III), are developed for propene oxide/carbon dioxide copolymerization exploiting intermetallic synergy to deliver enhanced performances.

Useful links:
Understanding metal synergy in heterodinuclear catalysts for the copolymerization of CO₂ and epoxides (Nature Chem. 2020, 12, 372)
Heterodinuclear zinc and magnesium catalysts for epoxide/CO₂ ring opening copolymerizations (Chem. Sci. 2019, 10, 4618)

For further details please contact Charlotte Williams (charlotte.williams@chem.ox.ac.uk)