ISIS Chemistry Science Highlights

Chemistry Science Highlights

Chemistry applications of ISIS Neutron and Muon Source include studies of catalyst action, the behaviour of ions in solution, atmospheric reactions, radical reactions, molecular dynamics, liquid dynamics, hydrogen bonding... to name a few.

Instruments at ISIS Neutron and Muon Source are well suited for a wide range of chemistry research. Browse all our Chemistry science highlight articles below.

Using ice as an innovative hydrogen storage material
Researchers from the Institute of Applied Physics "N. Carrara" of the Italian CNR have used TOSCA to show that gas molecules can be absorbed into the porous framework of ice XVII.
How neutron diffraction could tell us how to make the best cup of coffee
Researchers from the Università degli Studi di Roma Tre have used neutron diffraction to investigate the structure of bioactive trigonelline, one of the most important components in coffee, to improve extraction techniques.
Pressure turns graphite to diamond and glyphosate to...
Professor Simon Parsons and PhD student Cameron Wilson from The Chemistry department at the University of Edinburgh visited PEARL to study phase behaviour in glyphosate.
Lighter Compounds to Encourage the use of Hydrogen as a Vehicle Fuel
A team from Helmholtz-Zentrum Hereon used SANDALS to analyse the structure of an amide-based hydrogen storage material with the aim of optimising its reaction kinetics.
The Impact of Pressure on Pharmaceutical Cocrystal Structures
Synchrotron and neutron diffraction was used to study the effects of pressure on hydrogen bonding in pharmaceutical cocrystals.
Neutron imaging offers a view of catalysis in real-time
A recent study of hydrogen adsorption and absorption within a packed Pd/C catalyst has demonstrated the potential of neutron imaging to capture catalytic hydrogenation unfolding in real time.
A new generation of anticancer drugs
Researchers from University of Warwick are developing a new generation of organometallic anticancer drugs.
Sugar could be the answer to stabilising protein-based drugs for the pharmaceutical industry
NIMROD and Iris have been used to improve understanding of the effect of sugars, sucrose and trehalose, on protein stabilization.
Inelastic Neutron Scattering contributing to the development of more sustainable catalysts
Inelastic neutron spectroscopy has been used to probe the location of defects in manganese oxide nanoparticles, with hopes the findings will contribute to the optimization of catalyst synthesis.
How cooking emissions from olive oil could provide valuable insight for development of models for the air we breathe
Research into the molecular arrangement of olive oil droplets could aid the development of models for the atmosphere which can be used to advise government policies.
Neutrons for catalysis: accelerating progress to Net Zero
A recent review explains how advances in neutron scattering are enabling the design of new catalysts to address the decarbonisation challenge.
Economic Impact Award 2023
The winner of the economic award is Timothy Johnson from Johnson Matthey, for their work demonstrating the viability of a scalable route to synthesising gas storage materials.
Discovering new glass-forming iron MOFs
During a placement with ISIS, PhD student Rasmus Christensen carried out some experiments that were key to characterising a new type of metal organic framework.
Surprises found in combined diffraction and spectroscopy study
A study of iron pentacarbonyl has revealed some unexpected results, thanks to the unique insight gained from using neutrons.
Grimy windows could be harbouring toxic pollutants
Dirty windows can harbour potentially harmful pollutants under protective films of fatty acids from cooking emissions – and these can hang around for long periods of time.
Formulating engine lubricants for modern fuels and hardware
Lubrizol has used small angle neutron scattering at ISIS to learn more about how additives neutralise a type of acid formed in engine lubricant that is more common when biofuels are used.
Infineum commissions new sample environment to study engine oil components
Speciality chemical company Infineum has used a new neutron reflectivity setup to recreate what happens to surfactants inside an engine.
Hydrogen bonding in protonic ionic liquids probed by TOSCA and state-of-the-art solid-state calculations
This study reports, for the first time, an exhaustive, computationally supported study of protonic ionic liquids using inelastic neutron spectroscopy.
Illuminating samples inside the beamline
A new sample cell that can be used for inelastic neutron scattering whilst a sample is being illuminated has been developed and successfully used on Tosca.
What makes an explosive go bang?
Researchers have used Tosca to investigate how the structure of an energetic material dictates its sensitivity
The effect of chain length and water content on ionic liquid behaviour
Size of magnesium ion more important than its strength when attracting water molecules
Scientists have discovered a connection between the size of a magnesium ion and it's ability to attract water molecules, previously thought to be related to its high dehydration energy.
Quantum tunnelling plays a major role in muonium reactions with larger alkanes
Scientists have found that quantum tunnelling has a dramatic effect on the rate of reaction that occurs when muonium reacts with larger alkanes.
Investigating perovskite ground state structures on Vesuvio
Scientists have used INS to investigate the ground state structure of BaZrO3, a material with the potential for application in a range of different technologies including fuel cells and hydrogen separation membranes.
Investigating silica-surfactant interactions: when two techniques are better than one
An International collaboration investigates the formation of silica surfactant particles.
A simpler, more effective, route to cleaner water
Researchers have devised a simple method to remove dyes from wastewater using newly developed graphene-based nanocomposites.
Neutron scattering for catalysis – special issue
The journal Topics in Catalysis has published a special issue focussing on the impact of neutron scattering on catalysis studies, which features a variety of research carried out at ISIS.
Neutrons, catalysis and net zero
Catalysts could have a big impact when working towards Net Zero, across a wide variety of different industrial processes.
Using catalysts to improve yield of light olefins from sustainable biomass
Using TOSCA and MAPS researchers were able to study zeolite catalysts that alter reaction pathways to produce a higher yield of light olefins from compounds derived from a sustainable biomass source.
Discovering ion pairing in alkalide solutions
Alkalides have been long assumed to exhibit ‘gas-like’ behaviour and not interact with their environment. Neutron experiments on NIMROD have majorly contributed to calling this into question, and provided strong evidence for ion association in solution.
Adding pressure to Prussian Blue Analogues
Using neutron and X-ray diffraction at high pressures, researchers have investigated the effects of defects, hydration and composition on Prussian Blue Analogues
Molecular machines that pick up good vibrations
The effect of vibrations on the energy barriers of hydrogen-deuterium exchange in a molecular machine has been shown to cause a 400-fold increase in the rate of reaction.
Does it matter if shellfish food is left-handed or right-handed?
Scientists from Evonik Nutrition & Care, Evonik Operations GmbH and the University of Reading have used inelastic neutron scattering alongside other techniques to study the differences between two forms of a new feed supplement for marine organisms.
A combination of neutron experiments uncovers a structural rarity in a perovskite-type oxide ion conductor
Researchers from Durham University have used neutrons at ISIS, ILL and ANSTO alongside other techniques to characterise the structure and conductivity of an oxide-conducting perovskite.
The effect of d orbital occupation on magnetic interactions
A research group from the University of Sheffield have worked alongside ISIS staff using multiple techniques to investigate magnetic interactions inside perovskite materials: finding that the occupation of the d orbitals plays a key role.
Under pressure: how chemistry can replicate compression
A high-pressure study of two layered perovskite materials has compared the effect of high pressure and structural changes caused by altering chemical composition, showing that one could be used to predict the other.
Zoom experiment enables the formation of nanoscale Olympic rings
The first publication to come from an experiment on the newest ISIS instrument, Zoom, has identified a nucleation mechanism that enabled an international research group to create intricate structures comprising of interlocked single-molecule rings.
Investigating silica-surfactant interactions: when two techniques are better than one
Spin-Echo Modulated Small-Angle Neutron Scattering (SEMSANS) and Small Angle Neutron Scattering (SANS) were used together to provide a complete picture of the initial solution formation stages of particles that go on to form mesoporous silica thin films.
Zeolite pore control for purification of polymer starting materials
Reversible and selective separation of alkyne impurities from polymer starting materials has been achieved by controlling the environment of the pores inside a zeolite.
Xpress access to TOSCA leads to the quick characterisation of a catalyst for hydrofluorination
By using a combination of methods, including inelastic neutron scattering, the addition of hydrogen fluoride to a commercial catalyst has been investigated, and its hydrofluorination capability tested.
Temperature and chain length determine rate of exchange of chains between diblock copolymer nanoparticles
The speciality chemicals company Lubrizol has used neutron scattering at ISIS to investigate the rate of copolymer chain exchange in nanoparticles comprising diblock copolymers of differing chain lengths at various temperatures.
HRPD helps find a way to make ice cubic
Despite the common shape of ice in your freezer being a cube, the structure of ice crystals is actually hexagonal. For the first time, scientists have been able to make a form of ice that is actually cubic.
#10YearsOn - Tom Headen
To continue our series of articles celebrating the new decade, Tom Headen looks back on the progress made in aromatic hydrocarbon research, and beamline technology, since we published his science highlight in 2010.
Neutron scattering reveals the orientational structure of liquid benzene under confinement
First observation of the elusive encounter complex in Frustrated Lewis Pairs
Investigating marine aerosols at night
New hybrid materials for detecting hydrogen peroxide
For the first time, hybrid materials made of Co2TiO4 and reduced graphene oxide have been made, characterised, and tested as hydrogen peroxide sensors.
Sulfur Dioxide: from toxic gas to industrial ingredient
An international team, led by scientists from the University of Manchester, have developed a new material that can reversibly adsorb sulfur dioxide from waste gas streams.
Looking inside a zeolite to understand its catalytic selectivity
A study combining inelastic neutron scattering (INS) and quasi-elastic neutron scattering (QENS) has given scientists a unique view inside the zeolite catalyst ZSM-5, enabling them to understand the selectivity of its reaction with hydrocarbon molecules.
Surfactants: explainer
Surface-active agents, surfactants, are crucial to many industries including healthcare, cleaning and petrochemicals. Here we explain what they are and how research at the ISIS Neutron and Muon source plays a vital part in developing their applications.
Double-faced hydrogen bonding in ionic liquids
Neutron diffraction and molecular dynamics simulations have shown that in some cases ions of the same charge actually form stronger hydrogen bonds to one another that oppositely charged species, despite the repulsion of their charges.
Breaking the limit of breaking down lignin
Scientists from the University of Manchester, the East China University of Science and Technology and ISIS Neutron and Muon Source have worked together on one of the hardest tasks in biomass conversion: breaking the limit of lignin monomer production.
Understanding diffusion in industrial catalysts
An international group of scientists has used ISIS to investigate catalysts for nylon manufacture.
Enhancing performance in important industrial catalysts
IRIS studies nickel as a catalyst for benzene and cyclohexane
Using quasielastic neutron scattering (QENS) on IRIS and molecular dynamics simulations, Dr Ian Silverwood and Dr Jeff Armstrong have investigated the diffusion of benzene and cyclohexane adsorbed on a nickel catalyst.
Neutrons improve our understanding of gold catalysts used in more environmentally friendly plastic making process
The Merlin spectrometer has been used to investigate gold on carbon catalysts, an environmentally friendly alternative to the volatile and toxic mercury catalysts widely used in the plastic making process.
The elusive encounter complex in Frustrated Lewis Pairs (FLPs) observed for the first time
Total neutron scattering experiments on SANDALS confirm the first experimental presence of catalytically active encounter complexes in FLP solutions.
Artificial intelligence takes on chemistry
There’s a new tool in the lab that’s drastically changing the face of chemical research – artificial intelligence.
Neutrons reveal secret to sweetness
Scientists have used neutron diffraction to study hydrogen bonding between monosaccharides and water to investigate the link between hydration and sweetness.
ISIS/Reading Collaboration Develops New Technique to Unlock Climate Secrets of Clouds
Recent work on the INTER reflectometer demonstrates the utility of combining an infrared beam with the neutron beam in order to probe complex systems critical to the climatic function of clouds and aerosol particles.
Green Solutions: Deep Eutectic Solvents
First reported in 2001 (by Abbott et al), Deep Eutectic Solvents (DESs) are part of an extended class of ionic liquids.
Perfectly imperfect: why it pays to mix it up with nanoparticles
The discovery of bucky balls (the spherical molecules of Buckminsterfullerene, C60) in 1985 led to a Nobel Prize (in 1996) and the development of a new branch of chemistry.
Investigating the structure of a new class of concentrated metal-amine liquids
Metal-amine solutions have been a fascinating curiosity since their discovery by Sir Humphry Davy in 1808.
New insights into nanoceria synthesis using SANDALS
Scientists from Universities of Bath and Cambridge have developed a new, green synthetic route for cerium oxide – an important component in catalytic converters and solid oxide fuel cells – using neutron diffraction to determine the mechanism of reaction.
Photo µSR gives insights into key industrial processes and fundamental science
A group of scientists have been working with ISIS to develop the technique of photo-µSR, which they believe will allow them to watch these processes occur, atom by atom.
Neutron Scattering in Catalysis and Energy Materials
As we move away from our dependency on fossil fuels and work towards cleaner energy resources and chemical conversion it is key to further our understanding of catalysis.
Neutrons reveal potential of MOFs as host structure for methane hydrates
Methane storage in the form of gas hydrates, the so-called solid methane storage, has gained an increased interest in the last few years for safe and easy transportation of methane in short and long-distance applications.
To freeze or not to freeze? The strange case of NIMROD and confined CO2
How fluids behave when contained within porous materials is of interest in a range of diverse applications. However, it is not that well understood
ISIS features on the cover of the journal of Materials Chemistry A!
The cover picture on the most recent issue of Journal of Materials Chemistry A features a paper presenting results from an experiment carried out at ISIS using the POLARIS instrument.
A spoon full of sugar helps the medicine go down.
Studies at ISIS have revealed that packaging platinum and palladium based anti-cancer drugs in a sugary coating protects them from being captured by natural antioxidants in the body.
Forensic scientist studies submerged bones at ISIS
Could neutrons reveal clues for forensic investigations in aquatic environments?
Shining the beam on anti-cancer drugs
Platinum-based drugs are known for their anticancer ability. Cisplatin, the most famous and most widely prescribed drug of this kind, offers treatment for several types of cancer such as testicular, lung, bladder and ovarian cancers.
Quantum effects explain similar melting points of light and heavy water
Water is a familiar substance. It is vital to life and covers over 70% of the surface of the Earth.
Opposites attract - Building cationic nanocarriers for anionic drugs.
Nanotechnology is all about little things with a big impact.
New capabilities for catalysis studies at ISIS
Catalysis is big business, and industry is keen to understand and improve catalytic processes. An estimated 80% of all man-made materials use catalysts during manufacturing, and as a result up to 35% of the world’s GDP relies on catalysis.
Reinventing chemistry in an environmentally friendly way
A large number of both useful commodities and fine chemicals are currently obtained by catalytic synthetic processes, but usually this does not happen in water.
Mystery of car battery material solved
ISIS has helped chemists to solve the 150 year-old mystery of what gives lead oxide, the main component of the lead-acid battery that is found under the bonnet of most cars, its unique properties.
Neutron Compton scattering in moderate-mass systems
This study suggests for the first time that the technique of Neutron Compton scattering (NCS) may be extended beyond the study of the lightest elements (such as H or He isotopes) to give additional information about the profile widths of heavier nuclei.
Nanostructured ionic liquids
Neutron diffraction and computer simulation are used to study the structure of ionic liquids, which are widely used to conduct chemical reactions.
Butterflies and bridges
While covalent bonds are usually formed by sharing two electrons between two atoms, some compounds contain B–H–B bonds in which an electron pair is distributed over three sites.
Understanding a catalyst from formula to mechanism
Neutron and x-ray powder diffraction and several other techniques are used to characterise hydrous palladium oxide, a key component of catalytic converters.
Developing methods for detecting hazardous radioisotopes emitted by the nuclear power industry
Small angle neutron scattering is used to probe microemulsion systems, in order to help develop methods for detecting hazardous radioisotopes emitted by the nuclear power industry.
Proton harmonic motion in ice
There is currently great interest in probing the quantum state of the proton in ice.
Towards controlled proton transfer:tuning proton behaviour in a ternary molecule
Intermolecular proton transfer through hydrogen bonds has wide-ranging implications in fields as diverse as ferroelectrics, electrochemical processes, and enzymatic activity.
π – π interactions in aromatic liquids
Aromatic π – π interactions between benzene-like chemical groups play a key role in many important scientific phenomena.
Twists, bends, and stretches in Li(NH3)4, the lightest metal known
When alkali metals are dissolved in anhydrous liquid ammonia they give up their outer-shell electrons to the solvent producing solvated electrons and metal ions.
Two parts order, one part disorder: negative thermal expansion in Ni(CN)2
Materials with low-dimensional structures (e.g. 2-D or layered materials such as graphene, high-temperature superconductors) are important precisely because low dimensionality often leads to unusual and useful physical properties.
Catalysts revealed
Heterogeneous catalysis (catalysis where the catalyst is in a different phase from the reactants – e.g. a solid catalyst and gaseous reactants) is a key economic driver in advanced nations.
Perturbation of water structure by dissolved ions
Most naturally occurring water has ions (charged atoms) dissolved in it.
Interfacial structure in conjugated polymers
We have used neutron reflectivity and nuclear reaction analysis to look at the interfacial width between two different types of conjugated polymer.
Dihydrogen complex or classical dihydride?
The structure of compounds containing more than one H atom bonded to a transition metal may layon a continuum between two extremes: separatebonds between the metal (M) and each H atom with no direct H-H bonds (classical polyhydride), and a dihydrogen co
Will the real structure please step forward
Neutron diffraction has become a powerful technique for obtaining the accurate structure ofsmall organic molecules containing hydrogen.
A better catalyst for the chemical industry
Neutron scattering uncovers the secrets of catalytic selectivity.
Liquid assets
Neutron studies uncover the liquid structure of an important industrial solvent.
The many forms of ice
You might think that the ice on Earth would be the same as that on Iapetus, Saturn’s icy moon, but new research suggests they maybe quite different.
Geometric structure of ion hydration shells
Studying ions in solution.
Polymorphism and disorder: subtle effects controlling solid state molecular form
Studying molecular materials on SXD at ISIS
Four new polymorphs of formamide at high pressure
Research into polymorphic formamide
Effects of temperature and pressure on deuterium migration
Effects of temperature and pressure on deuterium migration in urea – phosphoric acid
Evidence of the presence of optic-like collective modes in a liquid
The dynamics within hydrogen bonded liquids are key to understanding the fundamental interactions which give rise to the cohesion energy being governed by strongly directional electrostatic forces.
Water at the leading edge: a new look at interfacial fluids
The structure of confined water
Waxy molecules exhibit a special shine for metal oxide nanocubes
Understanding how waxy molecules interact with and modify metal oxide materials will enhance their technological usage.
The binding of H2 in zeolites
Understanding the microscopic mechanisms of hydrogen interactions with zeolite materials to develop their storage potential.