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A remarkable case of supramolecular Umpolung. Nice collaboration with M. Malischewski from @freieuniversitaet.bsky.social. The 4-Fold Protonation of Tetracyanometalates causes the formation of π-Hole Bonding in the Solid State. @acs.org @dquimicauib.bsky.social @uib.cat pubs.acs.org/doi/full/10....

What happens if you substitute all protons by halogens in a photoactive complex? In our new publication, we show how ligand perhalogenation reshapes redox & photophysical properties in Ni(0) complexes. @wengeroliver.bsky.social in cooperation with Malischeski-group doi.org/10.1021/acs....

New paper out in ACS Omega: We compare the σ-donor and π-acceptor properties of fluorinated isocyanide complexes with their non-fluorinated analogues using the EDA-NOCV method. 🔗 pubs.acs.org/doi/10.1021/... #InorganicChemistry #Organometallics #ComputationalChemistry

Halogenation of ligands intensely modulates the redox and photophysical properties of transition-metal complexes, yet fully halogenated systems remain largely unexplored. Here we report the synthesis ...

While perfluorinated isocyanide ligands such as CNCF3 and CNC6F5 have been known for decades, their use by organometallic chemists has been limited primarily due to the challenges associated with their cumbersome synthesis. In this study, we present an improved synthetic route to [Cr(CO)5(CNC6F5)] and present its structural characterization. For a set of isocyanide ligands (CNC6H5, p-CNC6H4F, CNCH3) and their perfluorinated counterparts (CNC6F5, CNCF3), Gibbs energies of complexation have been calculated with regard to a series of isoelectronic metal fragments [V(CO)5]−, [Cr(CO)5], [Mn(CO)5]+, and [Fe(CO)5]2+. Furthermore, the σ-donor and π-acceptor properties of these isocyanide ligands in the resulting complexes were analyzed using the EDA-NOCV method. For completeness, we have also included ligands such as CO, CNH, and N2 into the analysis. While only minor differences in complexation energies are observed for the Cr(CO)5 fragment, more pronounced effects have been observed for the charged complexes. Interestingly, perfluorinated isocyanide ligands show in all cases higher complexation energies than the carbonyl ligands, indicating their strong binding to metal centers. Their pronounced σ-donor and π-acceptor abilities reveal their potential suitability to stabilize metal centers in both positive and negative oxidation states.

Excited to share my latest project from my time at the Krossing group!🎉 We show that N₂ can bind to a cationic Mn fragment without donor ligands and explore how this affects N₂ polarization & binding. Thanks to all coauthors & collaborators! 🔗 doi.org/10.1021/jacs... @jacs.acspublications.org

Dinitrogen complexes are intermediates in nitrogen fixation. Until now, all isolated molecular dinitrogen complexes have relied on ancillary ligands that are net electron donors, yielding N2 ligands c...

Bite angle optimization weakens ligand fields in cobalt(III) complexes, yet lifetimes can increase due to rigidification pi-donor (instead of pi-acceptor) ligand properties are key now in @jacs.acspublications.org pubs.acs.org/doi/10.1021/...

Rethinking Iron Photoredox Catalysis For Fe(III) complexes, excited-state redox potentials don’t follow the usual rules - standard estimation methods fall short Joël Wellauer with Paul Francis & colleagues at Deakin University in @jacs.acspublications.org pubs.acs.org/doi/10.1021/...

New molecular design absorbs 2 photons to store 2 positive and 2 negative charges 100 ns lifetime, 3 eV energy storage, and 37% quantum yield A step toward multi-electron photochemistry Mathis Brändlin and @bjoernpfund.bsky.social in @natchem.nature.com www.nature.com/articles/s41...

Cr(III) complexes with enhanced metal–ligand covalency enable tunable NIR luminescence and red-light photoreduction. @giacomo-morselli94.bsky.social & team find signs of doublet–doublet annihilation, or excited-state disproportionation. In @jacs.acspublications.org pubs.acs.org/doi/10.1021/...

Artificial photosynthesis could be the key to environmentally friendly fuels. A research team led by @wengeroliver.bsky.social has developed a special molecule that can store four charges simultaneously under light irradiation. Wenger calls this molecule "an important piece of the puzzle."

CoIII complexes have recently become an important focus in photophysics and photoredox catalysis due to metal-centered excited states with strong oxidizing properties. Optimizing chelate ligand bite a...

The first combined solid and solution state analysis of a sigma alkane complex has been reported in ‪‪@angewandtechemie.bsky.social‬ by the Krossing Group. CSD entry FUZZEJ contains the first sigma alkane complex to be crystallized from solution. 🔗 ccdc-info.com/3TbaoG4 #FeaturedStructureFriday

The reduction potentials of electronically excited states are crucial input values for photoredox reaction design. Since they are not directly measurable, they are typically estimated from the corresp...

The photoinduced accumulation of redox equivalents is a challenging requirement for artificial photosynthesis. Now a molecule has been developed in which the sequential absorption of photons results i...

Photoactive CrIII complexes are typically based on polypyridine coordination environments, exhibit red luminescence, and are good photo-oxidants but have modest photoreducing properties. We report new...

A research team from the University of Basel has developed a new molecule modeled on plant photosynthesis: under the influence of light, it stores two positive and two negative charges at the same tim...