Polymetallic Complexes: Modelling Heterogeneous Catalysis in Solution

The production of chemicals on an industrial scale often involves the use of a catalyst because it makes production of that chemical more efficient and therefore more cost effective. The chemical industry generally prefers these catalysts to be heterogeneous (e.g. a solid catalyst in a liquid reaction) as these are simple to separate from the products once the reaction is complete. To develop and improve upon these catalysts it is important to obtain a deep understanding of how they work in order to understand the features that are vital to their reactivity. Achieving this for heterogeneous catalysts presents a significant challenge because it is often difficult to define the active form (or forms) of the catalyst.

The research proposed here aims to bridge this gap by synthesising soluble compounds, containing small clusters of metal atoms, which will be used to model heterogeneous catalysts and study specific reactions that they can be used for. This method allows us to utilise many of the highly sensitive, solution based techniques, which are usually unavailable for heterogeneous catalysts due to their inherent insolubility, and obtain the comprehensive understanding that is crucial for catalyst development. In these initial studies, we will focus on the conversion of CO and CO2 into more valuable resources.

The chemical industry currently relies heavily on feedstocks that are derived from depleting fossil fuels reserves. Establishing alternative feedstock sources that are derived from abundant, sustainable resources, such as CO and CO2, would promote an industry that is not reliant on the production of oil. CO and CO2 are relatively stable molecules therefore transforming them into more valuable compounds is challenging. However, it is well established that metal complexes can help to promote this conversion by weakening the C-O bonds they contain. We are interested in utilising our model catalysts to study the reactivity of these gases and ultimately apply our understanding of catalysts to establishing economically viable processes for their conversion.

Impact from the proposed research will initially be realised in the creation of new knowledge and the training of highly skilled researchers (PDRA and undergraduate project students). Longer-term impact will contribute towards sustainability (through reduction in waste and energy requirements of catalytic reactions) therefore reducing the impact the chemical industry has on the environment. Ultimately, this will result in wealth creation through the commercialisation of this scientific knowledge.

The creation of fundamental knowledge in catalysis and synthetic chemistry is important as these are key areas that have been highlighted by RUK for continued investment (see Academic Impact statement for further details). Alongside publication of the results in high-impact peer-reviewed scientific journals, the work will be disseminated through national and international chemistry conferences. Where appropriate, the dedicated Press and Publicity team at HWU will assist with promoting as key findings are realised. The PI will also disseminate summaries of findings to a more general audience via theconversation.com (The Conversation is an independent source of news and views, sourced from the academic and research community and delivered direct to the public) to promote public engagement and enhance the visibility of the PI's research group.

The funding of a PDRA will allow that scientist the opportunity to broaden their skill set by working on a multidisciplinary project. At HWU there is the resources available for the PDRA to gain hands-on experience of a number of techniques (NMR, XRD, etc) through personal access to the instruments after receiving one-to-one training on their use. The PDRA will also be involved in the guidance of undergraduate project students

The projected, long-term impact, this work will have on the chemical industry, lies beyond the timeframe of the outlined program of work. We view these investigations as a stepping-stone to further studies, focussed more closely on the application of the fundamental understanding we have created of the catalytic systems. This will be achieved in collaboration with heterogeneous chemists and by working more closely with the chemical industry through organisations such as the Catalysis Hub. In doing so, we will create more efficient catalytic systems, which have greater selectivity and lower energy requirements.