• Automated in Silico Design of Homogeneous Catalysts 

      Foscato, Marco; Jensen, Vidar Remi (Peer reviewed; Journal article, 2020)
      Catalyst discovery is increasingly relying on computational chemistry, and many of the computational tools are currently being automated. The state of this automation and the degree to which it may contribute to speeding ...
    • Loss and Reformation of Ruthenium Alkylidene: Connecting Olefin Metathesis, Catalyst Deactivation, Regeneration, and Isomerization 

      Engel, Julien; Smit, Wietse; Foscato, Marco; Occhipinti, Giovanni; Törnroos, Karl Wilhelm; Jensen, Vidar Remi (Peer reviewed; Journal article, 2017)
      Ruthenium-based olefin metathesis catalysts are used in laboratory-scale organic synthesis across chemistry, largely thanks to their ease of handling and functional group tolerance. In spite of this robustness, these ...
    • Phosphine-Based Z‑Selective Ruthenium Olefin Metathesis Catalysts 

      Smit, Wietse; Koudriavtsev, Vitali; Occhipinti, Giovanni; Törnroos, Karl Wilhelm; Jensen, Vidar Remi (Peer reviewed; Journal article, 2016-05-18)
      Whereas a number of highly Z-selective ruthenium-based olefin metathesis catalysts bearing N-heterocyclic carbene ligands have been reported in recent years, Zselectivity has so far been difficult to achieve for phosphinebased ...
    • Pyridine-Stabilized Fast-Initiating Ruthenium Monothiolate Catalysts for Z-Selective Olefin Metathesis 

      Occhipinti, Giovanni; Törnroos, Karl Wilhelm; Jensen, Vidar Remi (Peer reviewed; Journal article, 2017)
      Pyridine as a stabilizing donor ligand drastically improves the performance of ruthenium monothiolate catalysts for olefin metathesis in comparison with previous versions based on a stabilizing benzylidene ether ligand. ...
    • Silica-supported Z-selective Ru olefin metathesis catalysts 

      Renom-Carrasco, Marc; Mania, Philipp; Sayah, Reine; Veyre, Laurent; Occhipinti, Giovanni; Jensen, Vidar Remi; Thieuleux, Chloé (Peer reviewed; Journal article, 2020)
      Recently reported thiolate-coordinated ruthenium alkylidene complexes show promise in Z-selective and stereoretentive olefin metathesis reactions. Herein we describe the immobilization of three Ru complexes containing a ...
    • Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction 

      Bernhardt, Paul V.; Bilyj, Jessica K.; Brosius, Victor; Chernyshov, Dmitry; Deeth, Robert J.; Foscato, Marco; Jensen, Vidar Remi; Mertes, Nicole; Riley, Mark J.; Törnroos, Karl Wilhelm (Peer reviewed; Journal article, 2018-01-06)
      Single crystal structural analysis of [Fe^II(tame)_2]Cl_2⋅MeOH (tame=1,1,1‐tris(aminomethyl)ethane) as a function of temperature reveals a smooth crossover between a high temperature high‐spin octahedral d^6 state and a ...