Radical para-Selective C-X (X=C, N, S) Functionalisation of Nitrobenzene | ChemRxiv

Achieving selective C-H activation and bond formation in aromatic molecules remains a central task in organic chemistry. Conventional strategies rely on metal-catalysts, pre-functionalized reagents or harsh conditions, increasing synthetic complexity and ...

chemrxiv.org

GitHub - DoNOF/DoNOFsw: Donostia Natural Orbital Functional Software

Donostia Natural Orbital Functional Software. Contribute to DoNOF/DoNOFsw development by creating an account on GitHub.

github.com

DIPC Summer Internship — Daniel Reta Research Group

danielreta.com

Post-Doctoral Research Associate in Modelling X-ray Spectroscopies for the Nuclear Fuel Cycle :Manchester

Post-doctoral research associate in Modelling X-ray Spectroscopies for the Nuclear Fuel Cycle working with the Oakley group, Department of Chemistry, School of Natural Sciences, The University of Manchester.

jobs.manchester.ac.uk

Including Environmental Effects in Simulation of Actinide X-ray Spectroscopy at The University of Manchester on FindAPhD.com

PhD Project - Including Environmental Effects in Simulation of Actinide X-ray Spectroscopy at The University of Manchester, listed on FindAPhD.com

findaphd.com

PhD in Theoretical Chemistry and Computational Modelling — Daniel Reta Research Group

danielreta.com

Ab initio electronic structure calculations of lanthanide single-molecule magnets; a practical guide

Research into single-molecule magnetism lies at the nexus of challenging synthetic chemistry, spin physics and ab initio quantum chemistry. There are no “one-size-fits-all” textbooks and as such it ca...

pubs.rsc.org

[FSE Bicentenary PhD] Controlling magnetic relaxation times in rare earth single-molecule magnets and qubits at The University of Manchester on FindAPhD.com

PhD Project - [FSE Bicentenary PhD] Controlling magnetic relaxation times in rare earth single-molecule magnets and qubits at The University of Manchester, listed on FindAPhD.com

findaphd.com

Visit the Quantum Mile: a journey through quantum physics research in Donostia

dipc.ehu.eus

Milla Cuántica

Recorrido Virtual Milla Cuántica

millacuantica.smartmap.emovere.eu

DIPC Activity Report 2024 is available online

We are glad to announce that DIPC Activity Report 2024 is now available for download. Its pages summarize our vision and commitment with excellence science as a basis for long-term social and economic...

tinyurl.com

Soft magnetic hysteresis in a dysprosium amide–alkene complex up to 100 kelvin - Nature

A dysprosium amide–alkene complex shows soft magnetic hysteresis loops up to 100 kelvin, arising from the high charge density of the amide ligands and the structural role of the pendant alkene.

nature.com

Ideien kimika. Unibertso kimikoaren azken muga

Kimika Fakultatearen 50. urteurrena dela eta, 50 urte kimika zabaltzen zikloa antolatu da, bertan Kimika Fakultateko kideek Fakultatean garatzen diren hainbat gairen inguruan arituko dira, publiko oro

donostiakultura.eus

Radical Formation by Direct Single Electron Transfer between Nitrobenzene and Anionic Organo Bases

The presence of unpaired electrons, i.e., radicals, equips organic molecules with unique magnetic and reactivity properties. However, due to the reactive nature of radicals and the nontrivial chemistry required for their preparation, strict structural and electronic limitations are imposed on the available systems, limiting their potential applications. Thus, developing mechanisms that enable facile radical formation in simple reaction conditions, employing available and inexpensive reactants and applicable to general types of molecules, holds the key to capitalize on the extraordinary properties that radicals have to offer. Here, combining electron paramagnetic resonance spectroscopy and ab initio calculations, we uncover an unprecedented single electron transfer from multiple anionic organic bases (B–X+) to nitrobenzene [1], leading to the formation of stable nitrobenzenide radical ion-pair [1•–][X+] (X = Li, Na, K) and transient oxidized, radical bases B•. Our results establish nitroarenes as versatile radical precursors, providing a broadly applicable protocol for generating heteroatom-centered radicals and enabling radical transformations under mild conditions from inexpensive and readily available starting materials. Finally, we propose the [1]–[B–X+] couple as an unexplored platform with the potential to advance the field of frustrated radical pairs.

pubs.acs.org

Synthesis, characterization and reactivity of a series of alkaline earth and rare earth iminophosphoranomethanide complexes

Communications Chemistry, Published online: 05 June 2025; doi:10.1038/s42004-025-01572-5Iminophosphoranomethanide ligands have been used to stabilize metal complexes, but their application as alkyl precursors in deprotonation reactions remains unexplored. Here, the authors prepare and characterize bis- and tris- methanide alkaline and rare earth complexes through protonolysis between dibenzyl metal precursors and the CH2(SiMe3)P(Ph)2 = NSiMe3 proligand or salt elimination reactions, and show that rare earth methanides can be used as synthetic precursors for the preparation of solvent-free complexes.

bit.ly

Synthesis, characterization and reactivity of a series of alkaline earth and rare earth iminophosphoranomethanide complexes - Communications Chemistry

Iminophosphoranomethanide ligands have been used to stabilize metal complexes, but their application as alkyl precursors in deprotonation reactions remains unexplored. Here, the authors prepare and ch...

nature.com