Tim Schramm
@tkschramm.bsky.social
Graduate Researcher in Computational Chemistry @grimmelab.bsky.social
| M. Sc. @rwth.bsky.social and with M. Head-Gordon @ucberkeleyofficial.bsky.social
| M. Sc. @rwth.bsky.social and with M. Head-Gordon @ucberkeleyofficial.bsky.social
Reposted by Tim Schramm
Research Highlight now online:
Palladium makes agostic C–H bonds more acidic by Eric J. Piechota
www.nature.com/articles/s44... ($)
Highlighting the @jacs.acspublications.org article by Andreas Hansen, Demyan E. Prokopchuk & co-workers
#Chemsky
Palladium makes agostic C–H bonds more acidic by Eric J. Piechota
www.nature.com/articles/s44... ($)
Highlighting the @jacs.acspublications.org article by Andreas Hansen, Demyan E. Prokopchuk & co-workers
#Chemsky
Palladium makes agostic C–H bonds more acidic - Nature Synthesis
Nature Synthesis - Palladium makes agostic C–H bonds more acidic
www.nature.com
October 8, 2025 at 11:19 AM
Research Highlight now online:
Palladium makes agostic C–H bonds more acidic by Eric J. Piechota
www.nature.com/articles/s44... ($)
Highlighting the @jacs.acspublications.org article by Andreas Hansen, Demyan E. Prokopchuk & co-workers
#Chemsky
Palladium makes agostic C–H bonds more acidic by Eric J. Piechota
www.nature.com/articles/s44... ($)
Highlighting the @jacs.acspublications.org article by Andreas Hansen, Demyan E. Prokopchuk & co-workers
#Chemsky
Reposted by Tim Schramm
Thanks so much to @bribarbu.bsky.social and @cenmag.bsky.social for highlighting our recent work! 😊
@tkschramm.bsky.social @unibonn.bsky.social
@tkschramm.bsky.social @unibonn.bsky.social
Chemists finally know why palladium beats nickel at C–H activation
New study examines the precious metal’s ability to acidify bonds in alkanes. cen.acs.org/synthesis/c-... #chemsky 🧪
New study examines the precious metal’s ability to acidify bonds in alkanes. cen.acs.org/synthesis/c-... #chemsky 🧪
Chemists finally know why palladium beats nickel at C–H activation
New study examines the precious metal’s ability to acidify bonds in alkanes
cen.acs.org
September 25, 2025 at 3:32 PM
Thanks so much to @bribarbu.bsky.social and @cenmag.bsky.social for highlighting our recent work! 😊
@tkschramm.bsky.social @unibonn.bsky.social
@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!
Thanks to Lirong Lin and @dpro.bsky.social for the many Zoom discussions — always a pleasure working together to clarify such fundamental reactivity questions!
Why is Pd often "better" at C-H activation than Ni? Just published in JACS, we show that Pd acidifies C(sp3)-H bonds 100,000 times more than Ni. Our DFT collab with @tkschramm.bsky.social and Andreas Hansen @unibonn.bsky.social was crucial to explain acid-base rxns!
pubs.acs.org/doi/10.1021/...
pubs.acs.org/doi/10.1021/...
September 10, 2025 at 12:56 PM
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!
Thanks to Lirong Lin and @dpro.bsky.social for the many Zoom discussions — always a pleasure working together to clarify such fundamental reactivity questions!
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...
#compchem #PCET #catalysis #ORCA
doi.org/10.1021/acso...
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...
doi.org
August 7, 2025 at 7:00 PM
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...
#compchem #PCET #catalysis #ORCA
doi.org/10.1021/acso...
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...
Read more: doi.org/10.1021/jacs...
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...
doi.org
January 3, 2025 at 1:20 PM
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...
Read more: doi.org/10.1021/jacs...