Investigation of intermolecular electron spin interaction is of fundamental importance in both science and technology. Here, radical pairs of all-trans retinoic acid molecules on Au(111) are created using an ultralow temperature scanning tunneling microscope. Antiferromagnetic coupling between two radicals is identified by magnetic-field-dependent spectroscopy. The measured exchange energies are from 0.1 to 1.0 meV. The biradical spin coupling is mediated through O─H⋯O hydrogen bonds, as elucidated from analysis combining density functional theory calculation and a modern version of valence bond theory.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/PhysRevLett.128.236401 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Stable organic radicals - a material platform for developing molecular quantum technologies.
Phys Chem Chem Phys
January 2025
UCL Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT, UK.
An electron spin is a natural candidate for a quantum bit - the quantum information storage unit. Stable organic radicals, consisting of unpaired electron spins, can thus be explored for the development of quantum science and technologies, owing to their excellent chemical tunability and their great promise for scalability. The molecular network formed by the stable organic radicals can be used for the design of spin-based quantum computing circuits.
View Article and Find Full Text PDFInfluence of Curvature on the Physical Properties and Reactivity of Triplet Corannulene Nitrene.
J Am Chem Soc
December 2024
Department of Chemistry, University of Cincinnati, Cincinnati, Ohio 45221-0172, United States.
Although nitrene chemistry is promising for the light-induced modification of organic compounds, the reactivity of large polycyclic aromatic compounds and the effects of their curvature remain unexplored. Irradiation of azidocorannulene () in methanol/acetonitrile followed by HCl addition produced diastereomers and . Azirine is apparently trapped by methanol to form diastereomeric acetal derivatives that are hydrolyzed with HCl to yield and '.
View Article and Find Full Text PDFSpin-symmetry-enforced solution of the many-body Schrödinger equation with a deep neural network.
Nat Comput Sci
December 2024
ByteDance Research, Fangheng Fashion Center, Beijing, P. R. China.
The integration of deep neural networks with the variational Monte Carlo (VMC) method has marked a substantial advancement in solving the Schrödinger equation. In this work we enforce spin symmetry in the neural-network-based VMC calculation using a modified optimization target. Our method is designed to solve for the ground state and multiple excited states with target spin symmetry at a low computational cost.
View Article and Find Full Text PDF"Nutation" of electron spins in biradicals.
J Magn Reson
November 2024
Zavoisky Physical-Technical Institute, FRC Kazan Scientific Center of RAS, Sibirsky Tract 10/7, Kazan 420029, Russian Federation.
In this work, the nutation of the spins of unpaired electrons in the nitroxide biradical of bis‑methano[60]fullerene was experimentally studied. Nutation frequencies were found in a wide range of microwave field power. To interpret the obtained results, numerical calculations of the nutation of biradicals were carried out for a set of parameters of the spin-spin interaction of a pair of unpaired electrons and for different values of the Rabi frequency of the microwave field.
View Article and Find Full Text PDFComputation of Magnetic Exchange Couplings in Photoexcited Systems Based on KS-DFT.
J Phys Chem Lett
October 2024
Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes)-UMR 6226, F-35000 Rennes, France.
Many efforts have been made in the study of optically excited spin-coupled molecules due to their appealing features for quantum information sciences. However, the characterization of the magnetic exchange couplings occurring from the photoexcitation is challenging experimentally. In this context, theoretical determinations play a critical role and must provide evaluations with rigorous and cost-effective strategies.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!