The chemistry of CO2 activation and fixation

In addition to limiting the burning of fossil fuels, there exists two strategies to counteract the increase in the CO2 content in the atmosphere. Perhaps the most often discussed strategy is carbon capture and storage (CCS) - i.e. to capture CO2 from combustion processes and bury it in geological structures. This is the strategy that underlies the so-called moon landing at Mongstad, and now at the Brevik plant. A second strategy is to imitate nature by developing artificial photosynthesis, which means converting CO2 into industially useful products and fuels. In natural photosynthesis the energy is taken from sunlight. However, it is also possible to run similar reactions using other energy sources. Our project "The chemistry of CO2 activation and fixation" is inspired by what we now know about the chemical reaction mechanisms involved in natural photosynthesis, but with an important difference, namely the way the CO2 molecule is activated for reaction. By supplying two electrons to the CO2 molecule before forming chemical bonds to other molecules, we open up for a different type of chemistry than what is known from nature. We study and describe the basic factors that regulate the formation of covalent bonds between carbon atoms and between carbon atoms and hydrogen atoms, thereby providing the ground for artificial photosynthesis. The project is in good course since we already reported one publication in 2017, two in 2018, two in 2019, two in 2020 and one in 2021. The results from the project have also been disseminated in a number of lectures at international conferences, as well as popularized nationally. Through the project, one postdoctoral fellow has qualified for a permanent academic position, one PhD candidate has succesfully defended his thesis, while another is working towards his doctoral degree.

Gjennom de siste ti årene har det internasjonalt skjedd en eksplosiv økning i interessen for CO2-kjemi. Dette skyldes skyldes den økende bevisstheten om klima og bærekraft. Gjennom arbeidet i dette prosjektet er det vist hvordan ulike grunnstoffatomer i ulik grad aktiverer CO2-molekylet for videre reaksjon. Denne grunnleggende kunnskapen er av betydning for å finne fram til de best egnete metodene og materialene for omdanning av CO2 til nyttige kjemikalier.

Our objective is to determine the essential molecular factors, at the most fundamental level, that govern how CO2 forms covalent bonds to hydrogen and carbon, mediated by electrons and catalysed by specific metals. This knowledge is of high relevance to large-scale processes in which carbon dioxide may be converted to commodity chemicals and polymers, and to biological CO2 fixation. This will be achieved by employing state-of-the-art experimental techniques of accurately defined gas phase reaction systems and key species, infrared action spectroscopy and advanced mass spectrometric and ion storage techniques. In addition, large-scale quantum chemical modelling for accurate simulation of spectral properties, reaction mechanisms and dynamics will be applied, thus significantly enhancing the interpretation of the experimental findings. This unique combination of experimental and computational methodology, alongside with the well-documented ability of the PIs in producing original and high-quality research, warrants highly significant outcome from the project, to be published in the best journals. The three-year project will hire one postdoctoral fellow and two Ph.D. students, who will benefit from the combined expertise of two research groups, and their local, national and international network of top-level collaborators. Costs for experimental campaigns in Oslo, Berlin, Paris and Stockholm are included.