Tim Schramm

Palladium makes agostic C–H bonds more acidic - Nature Synthesis Nature Synthesis - Palladium makes agostic C–H bonds more acidic

Research Highlight now online:

Palladium makes agostic C–H bonds more acidic by Eric J. Piechota

www.nature.com/articles/s44... ($)

Highlighting the @jacs.acspublications.org article by Andreas Hansen, Demyan E. Prokopchuk & co-workers
#Chemsky

Thanks so much to @bribarbu.bsky.social and @cenmag.bsky.social for highlighting our recent work! 😊

@tkschramm.bsky.social @unibonn.bsky.social

Exciting to see this experiment–theory synergy finally published in JACS! 🧪

Thanks to Lirong Lin and @dpro.bsky.social for the many Zoom discussions — always a pleasure working together to clarify such fundamental reactivity questions!

Many thanks to my great collaborators from @dpro.bsky.social's lab! 🤝 I look forward to exploring more of the catalytic potential of the free ligand in the future - so stay tuned!

Expanding the PCET Thermochemistry of CpN3: N–H Bond Strengths of Metal-Free CpN3 Molecules and the Influence of Fe(CO)3 Coordination Amine rich cyclopentadienyl (CpN3) ligands are electronically distinct from classical Cp ligand architectures, as they exhibit fascinating proton-coupled electron transfer (PCET) chemistry under acidi...

Happy to share my first PhD contribution from the @grimmelab.bsky.social! 🎓 We explored the N-H bond thermochemistry of an amine-rich cyclopentadienyl ligand motif that shows no change in N-H bond acidity when coordinated to iron - surprising!
#compchem #PCET #catalysis #ORCA
doi.org/10.1021/acso...

Grateful to both Martin Head-Gordon and James Shee for their invaluable guidance, and to the Toste Group for yet another great collaboration!

Regioisomeric Engineering for Multicharge and Spin Stabilization in Two-Electron Organic Catholytes Developing multicharge and spin stabilization strategies is fundamental to enhancing the lifetime of functional organic materials, particularly for long-term energy storage in multiredox organic redox...

Just in time for 2025: Our new JACS paper, introducing "regioisomeric engineering" for stabilizing multi-electron organic flow batteries via charge and spin density redistribution as tracked by DFT! #compchem

Read more: doi.org/10.1021/jacs...