Our work on a dinuclear Rh(-I)/Rh(I) complex bearing tridentate has finally been published in Chemical Science. I am happy to share the unique coordination chemistry of our phosphinine ligand. pubs.rsc.org/en/content/art…

X-ray Spectroscopic Study of the Electronic Structure of a Trigonal High-Spin Fe(IV)═O Complex Modeling Non-Heme Enzyme Intermediates and Their Reactivity | JACS SSRL SLAC Stanford Chemistry UCI Chemistry UC Irvine Borovik Lab The University of Manchester The University of Manchester News pubs.acs.org/doi/10.1021/ja…

Magneto-optical cryogenic thermometer with an astonishing relative sensitivity of 95.3 % K-1. Yes, we did it! Check our contribution on Angew. Chem.: onlinelibrary.wiley.com/doi/10.1002/an… Muralee Murugesu uOttawa Science uOttawa Chem & Biomolec Sci // Chimie & Sci Biomol uOttawa | Innovation Angewandte Chemie

Super happy to share that our paper has been published in nature!!! Dominik Munz nature.com/articles/s4158…

Quantifying the influence of 3d-4s mixing on linearly coordinated metal-ions by L2,3-edge XAS and XMCD pubs.rsc.org/en/Content/Art…

Stimulating Phonon Bottleneck Effect in Organic Semiconductors by Charge-Transfer-Mediated J-Aggregation | Journal of the American Chemical Society @CHNSci IIT Guwahati #Phonon #Bottleneck #Organic #Semiconductors #Jaggregation #ChargeTransfer pubs.acs.org/doi/10.1021/ja…

Direct Probes of π-Delocalization in Resonance-Stabilized Radicals: Hyperfine-Resolved Microwave Spectroscopy of Isotopic Propargyl and Cyanomethyl JACS Center for Astrophysics | Harvard & Smithsonian Harvard University Smithsonian #PiDelocalization #Radicals #Microwave #Propargyl #Cyanomethyl pubs.acs.org/doi/10.1021/ja…

Spin Coupling Effect on Geometry-Dependent X-Ray Absorption of Diradicals | Journal of the American Chemical Society College of Chemistry Berkeley Lab UC Berkeley #SpinCoupling #Geometry #XRay #Diradicals pubs.acs.org/doi/10.1021/ja…

Check out the novel machine learning-based spin-orbit coupling correction for NMR chemical shifts by @GrimmeLab and Markus Bursch that can be used together with ORCA (FACCTs). doi.org/10.1039/D3CP05… #NMR #compchem #MachineLearning

Our latest work in J. Am. Chem. Soc. discusses a WFeS cluster with bridging carbyne and highly activated terminal CO (vCO < 1800 cm-1). Computation identifies an unusual intermediate spin state at Fe promoted by the carbyne. Thanks to everyone for the contribution. pubs.acs.org/doi/10.1021/ja…

Great day in the Peters group! Out now in J. Am. Chem. Soc., Christian’s tour de force on Fe-catalyzed Cyanide reduction. No stones left unturned in this mechanistic study! pubs.acs.org/doi/10.1021/ja…

Real-Time Time-Dependent Density Functional Theory for Simulating Nonequilibrium Electron Dynamics | Journal of the American Chemical Society The University of North Carolina at Chapel HillResearch @UNC UNC College of Arts and Sciences UNC-Chapel Hill Chemistry #DFT #NonEquilibrium #Electron #Dynamics pubs.acs.org/doi/10.1021/ja…

I have decided to start an NMR blog. sabba.me/nmr/2024/02/16…

🎉 Now in Nature Chemistry! Tunable valence tautomerism in lanthanide-organic alloys 👉 nature.com/articles/s4155… We report a complete, abrupt, hysteretic, and fully reversible valence change transition in a samarium-based coordination solid. 🧵Read more below👇

Please enjoy our latest work out now in Nature Chemistry on the synthesis of polar-covalent Th–Sb single, double and triple bonded species, showcasing actinide metal-metal multiple bonding between some of the heaviest ions in the periodic table. nature.com/articles/s4155…

This is a nice & concise review on spectroscopic approaches to iron-sulfur clusters. I was not aware of the Canadian Journal of Chemistry, tbh... doi.org/10.1139/cjc-20…

Check out our newest J. Am. Chem. Soc. communication on sulfur oxygenation mediated by a nonheme iron superoxide intermediate. Great job and congratulations Sudha and @VishalYadavChem , and an excellent collaboration with Pierre, and Guy Jameson! pubs.acs.org/doi/10.1021/ja…

Correlating Valence and 2p3d RIXS Spectroscopies: A Ligand-Field Study of Spin-Crossover Iron(II) | Inorganic Chemistry pubs.acs.org/doi/10.1021/ac… DeBeer and co-workers Inorganic Chemistry #iroin #valence #2p3d_TIXS #LIESST #SQUID #MCD #CASCI_NEVPT2 #SCO #HS #LS

📢Out now in JPCL The Journal of Physical Chemistry In Solution Identification of the Lysine–NOS-Cysteine Redox Switch in Transaldolase by Sulfur K-Edge X-ray Absorption Spectroscopy!! Great collaboration between MPI-CEC Uni Göttingen MPI for Multidisciplinary Sciences IIT Roorkee Synchrotron SOLEIL doi.org/10.1021/acs.jp…