Sondre Hilmar Hopen Eliasson

Postdoctoral Fellow - Hylleraas Centre for Quantum Molecular Sciences

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Email s.h.h.eliasson@kjemi.uio.no

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Visiting address Sem Sælands vei 26 0371 Oslo

Postal address Postboks 1033 0315 Oslo

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Foscato, Marco; Occhipinti, Giovanni; Eliasson, Sondre Hilmar Hopen & Jensen, Vidar Remi (2024). Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion. Journal of Chemical Information and Modeling. ISSN 1549-9596. 64(2), p. 412–424. doi: 10.1021/acs.jcim.3c01649.
de Giovanetti, Marinella; Eliasson, Sondre Hilmar Hopen; Castro, Abril C; Eisenstein, Odile & Cascella, Michele (2023). Morphological Plasticity of LiCl Clusters Interacting with Grignard Reagent in Tetrahydrofuran. Journal of the American Chemical Society. ISSN 0002-7863. 145(30), p. 16305–16309. doi: 10.1021/jacs.3c04238. Full text in Research Archive
Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2019). Benefit of a hemilabile ligand in deoxygenation of fatty acids to 1-alkenes. Faraday discussions. ISSN 1359-6640. 220, p. 231–248. doi: 10.1039/c9fd00037b. Show summary
One of the most important tasks for chemistry in our time is to contribute to sustainable chemical production. A green industrial process for linear α-olefins, the arguably most important class of petrochemical intermediates, from renewable resources would be a major contribution to this end. Plant oils are attractive renewable feedstocks for this purpose because their triglycerides can be hydrolyzed to fatty acids that contain valuable long-chain hydrocarbons (C16–C22). These hydrocarbons may, in turn, be converted to α-olefins by the deoxygenation of the fatty acids. For the most selective of these deoxygenation reactions, transition-metal catalyzed decarbonylative dehydration, the density functional theory (DFT) calculations have just started to offer valuable mechanistic insight, and the use of this insight in rational catalyst design has been facilitated by the arrival of the first well-defined precatalyst for this reaction, Pd(cinnamyl)Cl(DPEphos) (1). Here, we present DFT calculations showing how, in 1, the hemilability of DPEphos, a classical P–O–P diphosphine, contributes to a low overall barrier and high α-selectivity. DPEphos facilitates decarbonylation by first switching from bidentate to monodentate binding to create a coordination site for CO. The recoordination of the dangling phosphine displaces the Pd-bound CO, a co-product that must leave the reactor for the reaction to proceed, and the escaping CO is here modelled using a low pressure in the calculation of its thermochemical corrections. Finally, the role of the hemilabile ligand suggests that further improvements in the decarbonylative dehydration of fatty acids to α-olefins might be achieved by exploring new, potentially asymmetric, hemilabile ligands.
Eliasson, Sondre H. Hopen; Chatterjee, Anamitra; Occhipinti, Giovanni & Jensen, Vidar Remi (2019). Green Solvent for the Synthesis of Linear α-Olefins from Fatty Acids. ACS Sustainable Chemistry and Engineering. ISSN 2168-0485. 7(5), p. 4903–4911. doi: 10.1021/acssuschemeng.8b05523.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2018). Selective production of linear α-olefins via catalytic deoxygenation of fatty acids and derivatives. Catalysis Science & Technology. ISSN 2044-4753. 8(6), p. 1487–1499. doi: 10.1039/c7cy02580g. Show summary
Scientists are exploring renewables as sources for a more sustainable production of chemicals. Linear α-olefins (LAOs) are key commodity chemicals and petrochemical intermediates, which are currently almost exclusively obtained from fossil resources. The most important renewable alternative is plant oil, from which fatty acids and their derivatives can be converted into LAOs by ethenolysis of monounsaturated fatty acids or deoxygenation of saturated ones. The variety, in terms of length, is greater for the saturated fatty acids found in plant oils, and this review covers deoxygenation processes mediated by homogeneous, heterogeneous and enzymatic catalysts and discusses the strengths and weaknesses of different approaches for the selective production of LAOs. Although progress has been made in recent years, the best catalysts in each category are still far from fulfilling the industrial requirements for efficiency, atom economy, and turnover numbers. We hope that our focus on the main remaining challenges will stimulate future research to develop catalysed deoxygenation of fatty acid derivatives as a sustainable and industrially viable route to a range of α-olefins.
Eliasson, Sondre H. Hopen; Chatterjee, Anamitra; Occhipinti, Giovanni & Jensen, Vidar Remi (2017). The Mechanism of Rh-Catalyzed Transformation of Fatty Acids to Linear Alpha olefins. Inorganics. ISSN 2304-6740. 5(4). doi: 10.3390/inorganics5040087.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen; Törnroos, Karl Wilhelm & Jensen, Vidar Remi (2016). Palladium precatalysts for decarbonylative dehydration of fatty acids to linear alpha olefins. ACS Catalysis. ISSN 2155-5435. 6(11), p. 7784–7789. doi: 10.1021/acscatal.6b02460.
Šoltészová, Veronika; Foscato, Marco; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2015). Evolution inspector: Interactive visual analysis for evolutionary molecular design. In Chen, Min & Andrienko, Gennady (Ed.), Proceedings of the IEEE Conference on Visual Analytics Science and Technology. IEEE (Institute of Electrical and Electronics Engineers). ISSN 978-1-4673-9783-4. p. 219–220. doi: 10.1109/VAST.2015.7347687.

View all works in Cristin

Foscato, Marco; Occhipinti, Giovanni; Eliasson, Sondre Hilmar Hopen & Jensen, Vidar Remi (2023). Automated De Novo Design and Experimental Validation of Ru-Catalysts for Metathesis: Testing the Limits of a Correlation-Based Design Criterion.
Eliasson, Sondre Hilmar Hopen; de Giovanetti, Marinella; Bore, Sigbjørn Løland; Bortoli, Marco; Cascella, Michele & Eisenstein, Odile (2023). Machine Learned Potential for Organolithium in THF.
Eliasson, Sondre Hilmar Hopen; de Giovanetti, Marinella; Bore, Sigbjørn Løland; Bortoli, Marco & Cascella, Michele (2023). Machine Learned Potential for Organolithium Compounds in THF. .
Tysse, Morten; Jensen, Vidar Remi; Børve, Knut J.; Eliasson, Sondre Hilmar Hopen & Uggerud, Einar (2021). Electrocatalytic Reduction of CO2 to CO by Iron and Zinc Porphyrin and Bacteriochlorin - A DFT study.
Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2019). The benefit of a hemilabile ligand in deoxygenation of fatty acids to 1-alkenes. Show summary
One of the most important tasks for chemistry in our time is to contribute to sustainable chemical production. A green industrial process for linear α-olefins, the arguably most important class of petrochemical intermediates, from renewable resources would be a major contribution to this end. Plant oils are attractive renewable feedstocks for this purpose because their fatty acids may be converted to α-olefins by deoxygenation.[1] For the most selective of these deoxygenation reactions, transition-metal catalyzed decarbonylative dehydration, the density functional theory (DFT) calculations have just started to offer valuable mechanistic insight,[2] and the use of this insight in rational catalyst design has been facilitated by the arrival of the first well-defined precatalyst for this reaction, Pd(cinnamyl)Cl(DPEphos) (A1).[3] Here, we present DFT calculations showing how, in A1, the hemilability of DPEphos, a classical P–O–P diphosphine, contributes to a low overall barrier and high α-selectivity. DPEphos facilitates decarbonylation by first switching from bidentate to monodentate binding to create a coordination site for CO. The recoordination of the dangling phosphine displaces the Pd-bound CO, a co-product that must leave the reactor for the reaction to proceed, and the escaping CO is here modelled using a low pressure in the calculation of its thermochemical corrections. Finally, the role of the hemilabile ligand suggests that further improvements in the decarbonylative dehydration of fatty acids to α-olefins might be achieved by exploring new, potentially asymmetric, hemilabile ligands.
Heggstad, Katrine; Grønstad, Line Førre; Eliasson, Sondre H. Hopen; Ghaffari, Maryam; Lernevall, Lina Sophie Daughaard & Markova, Valeria [Show all 10 contributors for this article] (2017). Kunnskapskanalen: Forsker grandprix-2017 Bergen. [TV]. https://tv.nrk.no/serie/kunnskapskanalen/MDDP17002617/31-12-.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2017). Sustainable Transformation of Fatty Acids to Alpha-Olefins.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2017). A heterogeneous catalyst for the sustainable synthesis of linear alpha olefins from renewable fatty acids.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2017). Palladium catalysts for the transformation of fatty acids to alpha olefins.
Eliasson, Sondre H. Hopen; Chatterjee, Anamitra; Occhipinti, Giovanni & Jensen, Vidar Remi (2017). The Mechanism of Rh-Catalyzed Transformation of Fatty Acids to Alpha-olefins; A DFT-Study.
Eliasson, Sondre H. Hopen (2017). Omdanning av fornybart feitt til fossilt brennstoff vha. datasimuleringar.
Foscato, Marco; Occhipinti, Giovanni; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2017). In Silico Evaluation of Olefin Metathesis Catalysts: the Importance of Monitoring More than One Elementary Reaction.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2016). Synthesis of Alpha-Olefins from Renewable Fatty Acids.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2016). Palldium Precatalysts for Decarbonylative Dehydration of Fatty Acids to Linear Alpha Olefins.
Chatterjee, Anamitra; Eliasson, Sondre H. Hopen & Jensen, Vidar Remi (2016). New Organometallic Catalyst for Biomass Valorization. Show summary
Linear alpha-olefins count among the most important industrial intermediates and are used in the production of polymers and other materials and chemicals. Currently, these olefins are almost exclusively produced from fossil resources. As the world’s oil reserves continue to diminish and global warming looms, production of alpha olefins from renewable feedstocks is an important goal. One of the most promising routes in this respect is transition-metal-catalyzed decarbonylative dehydration of fatty acids. However, the decarbonylative dehydration reaction is still poorly understood and the existing catalysts and processes are not efficient enough for industrial implementation. Here we present new and more efficient organometallic catalysts for this reaction, catalysts that, under mild conditions, reach higher TOFs and require less phosphine excess than previously reported catalysts.
Eliasson, Sondre H. Hopen; Foscato, Marco; Occhipinti, Giovanni & Jensen, Vidar Remi (2015). Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.
Eliasson, Sondre H. Hopen; Foscato, Marco; Occhipinti, Giovanni & Jensen, Vidar Remi (2015). Automated Prediction of Optimized Ruthenium Catalysts for Olefin Metathesis.