Unpaired electron
View article: Atomic-scale control of graphene magnetism by using hydrogen atoms
Atomic-scale control of graphene magnetism by using hydrogen atoms Open
Hydrogen atom makes graphene magnetic Graphene has many extraordinary mechanical and electronic properties, but it's not magnetic. To make it so, the simplest strategy is to modify its electronic structure to create unpaired electrons. Res…
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Evolution of the Knowledge of Free Radicals and Other Oxidants Open
Free radicals are chemical species (atoms, molecules, or ions) containing one or more unpaired electrons in their external orbitals and generally display a remarkable reactivity. The evidence of their existence was obtained only at the beg…
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Metal oxidation states in biological water splitting Open
A central question in biological water splitting concerns the oxidation states of the manganese ions that comprise the oxygen-evolving complex of photosystem II.
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Photocatalytic C–H activation and the subtle role of chlorine radical complexation in reactivity Open
A complex role for chlorine radicals Radicals are atoms or molecules that are highly reactive because they have an unpaired electron. A common means of investigating whether they are involved in a particular reaction is to try to trap them…
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Highly durable organic electrode for sodium-ion batteries via a stabilized α-C radical intermediate Open
It is a challenge to prepare organic electrodes for sodium-ion batteries with long cycle life and high capacity. The highly reactive radical intermediates generated during the sodiation/desodiation process could be a critical issue because…
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Single-Electron Lanthanide-Lanthanide Bonds Inside Fullerenes toward Robust Redox-Active Molecular Magnets Open
A characteristic phenomenon of lanthanide-fullerene interactions is the transfer of metal valence electrons to the carbon cage. With early lanthanides such as La, a complete transfer of six valence electrons takes place for the metal dimer…
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Photogenerated Spin-Correlated Radical Pairs: From Photosynthetic Energy Transduction to Quantum Information Science Open
More than a half century ago, the NMR spectra of diamagnetic products resulting from radical pair reactions were observed to have strongly enhanced absorptive and emissive resonances. At the same time, photogenerated radical pairs were dis…
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Two-dimensional magnetic boron Open
We predict a two-dimensional (2D) antiferromagnetic (AFM) boron (designated as M-boron) by using ab initio evolutionary methodology. M-boron is entirely composed of B20 clusters in a hexagonal arrangement. Most strikingly, the highest vale…
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Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, <i>p</i>-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study Open
In this work, two different classes of polyaromatic hydrocarbon (PAH) systems have been investigated in order to characterize the amount of polyradical character and to localize the specific regions of chemical reactivity: (a) the non-Keku…
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A “waiting” carbon nitride radical anion: a charge storage material and key intermediate in direct C–H thiolation of methylarenes using elemental sulfur as the “S”-source Open
Potassium poly(heptazine imide), a carbon nitride semiconductor, in the presence of hole scavengers and visible light gives stable radical anion with the specific density of unpaired electrons reaching 112 mmol g−1.
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On‐Surface Synthesis and Collective Spin Excitations of a Triangulene‐Based Nanostar Open
Triangulene nanographenes are open‐shell molecules with predicted high spin state due to the frustration of their conjugated network. Their long‐sought synthesis became recently possible over a metal surface. Here, we present a macrocycle …
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Signature of coexistence of superconductivity and ferromagnetism in two-dimensional NbSe2 triggered by surface molecular adsorption Open
Ferromagnetism is usually deemed incompatible with superconductivity. Consequently, the coexistence of superconductivity and ferromagnetism is usually observed only in elegantly designed multi-ingredient structures in which the two competi…
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Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe<sup>V</sup>–Oxo Intermediate Open
The reaction of [(PyNMe3)FeII(CF3SO3)2], 1, with excess peracetic acid at -40 °C generates a highly reactive intermediate, 2b(PAA), that has the fastest rate to date for oxidizing cyclohexane by a nonheme iron species. It exhibits an inten…
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Large Magnetoresistance in Single-Radical Molecular Junctions Open
Organic radicals are promising building blocks for molecular spintronics. Little is known about the role of unpaired electrons for electron transport at the single-molecule level. Here, we examine the impact of magnetic fields on electron …
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Recent advances of stable Blatter radicals: synthesis, properties and applications Open
Radicals, organic molecules with unpaired electrons, are applied across different scientific disciplines such as electronics, energy storage and biochemistry.
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High Blocking Temperature of Magnetization and Giant Coercivity in the Azafullerene Tb<sub>2</sub>@C<sub>79</sub>N with a Single‐Electron Terbium–Terbium Bond Open
The azafullerene Tb 2 @C 79 N is found to be a single‐molecule magnet with a high 100‐s blocking temperature of magnetization of 24 K and large coercivity. Tb magnetic moments with an easy‐axis single‐ion magnetic anisotropy are strongly c…
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First-principles design of a half-filled flat band of the kagome lattice in two-dimensional metal-organic frameworks Open
Here, we design from first principles a type of two-dimensional metal-organic framework (MOF) using phenalenyl-based ligands to exhibit a half-filled flat band of the kagome lattice, which is one of a family of lattices that show Lieb-Miel…
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Persistent Borafluorene Radicals Open
N‐Heterocyclic carbene (NHC)‐ and cyclic (alkyl)(amino)carbene (CAAC)‐stabilized borafluorene radicals have been isolated and characterized by elemental analysis, single‐crystal X‐ray diffraction, UV/Vis absorption, cyclic voltammetry (CV)…
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Organic radical materials in biomedical applications: State of the art and perspectives Open
Owing to their unique chemical reactivities and paramagnetism, organic radicals with unpaired electrons have found widespread exploration in physical, chemical, and biological fields. However, most radicals are too short‐lived to be separa…
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Efficient light-emitting diodes from organic radicals with doublet emission Open
Organic light-emitting diodes (OLEDs) with doublet-spin radical emitters have emerged as a new route to efficient display technologies. In contrast to standard organic semiconductors, radical materials have unpaired electrons. This feature…
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Graphite Anodes for Li-Ion Batteries: An Electron Paramagnetic Resonance Investigation Open
Graphite is the most commercially successful anode material for lithium (Li)-ion batteries: its low cost, low toxicity, and high abundance make it ideally suited for use in batteries for electronic devices, electrified transportation, and …
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Thermally controlling the singlet–triplet energy gap of a diradical in the solid state Open
Diradicals, molecules with two unpaired electrons, are reactive intermediates that play an important role in many fields.
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Interfacial engineering of ferromagnetism in wafer-scale van der Waals Fe4GeTe2 far above room temperature Open
Despite recent advances in exfoliated vdW ferromagnets, the widespread application of 2D magnetism requires a Curie temperature (T c ) above room temperature as well as a stable and controllable magnetic anisotropy. Here we demonstrate a l…
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Progress in the Understanding and Applications of the Intrinsic Reactivity of Graphene‐Based Materials Open
Enhancing the intrinsic reactivity of graphene materials is essential for the development of low‐cost materials such as catalysts for various applications. Although an increasing understanding of the intrinsic reactivity of these materials…
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Chiral Redox-Active Isosceles Triangles Open
Designing small-molecule organic redox-active materials, with potential applications in energy storage, has received considerable interest of late. Herein, we report on the synthesis, characterization, and application of two rigid chiral t…
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Oxygen sensing ability of positronium atom for tumor hypoxia imaging Open
Positronium (Ps), a hydrogen-like atom consisting of a positron and an electron, is efficiently formed in the human body during positron emission tomography (PET) examination, and its decay rate into gamma-ray photons is significantly infl…
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Manganese mono-boride, an inexpensive room temperature ferromagnetic hard material Open
We synthesized orthorhombic FeB-type MnB (space group: Pnma) with high pressure and high temperature method. MnB is a promising soft magnetic material, which is ferromagnetic with Curie temperature as high as 546.3 K, and high magnetizatio…
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High-Spin ( <i>S</i> = 1) Blatter-Based Diradical with Robust Stability and Electrical Conductivity Open
Triplet ground-state organic molecules are of interest with respect to several emerging technologies but usually show limited stability, especially as thin films. We report an organic diradical, consisting of two Blatter radicals, that pos…
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Long‐Lived Radicals of the Heavier Group 15 Elements Arsenic, Antimony, and Bismuth Open
The syntheses and properties of long‐lived arsenic, antimony, and bismuth‐centered radicals are reviewed. In contrast to the rich phosphorus‐based radical chemistry, that of the heavier congeners is far less advanced, which can be attribut…
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The Mackay‐Type Cluster [Cu<sub>43</sub>Al<sub>12</sub>](Cp*)<sub>12</sub>: Open‐Shell 67‐Electron Superatom with Emerging Metal‐Like Electronic Structure Open
The paramagnetic cluster [Cu 43 Al 12 ](Cp*) 12 was obtained from the reaction of [CuMes] 5 and [AlCp*] 4 (Cp*=η 5 ‐C 5 Me 5 ; Mes=mesityl). This all‐hydrocarbon ligand‐stabilized M 55 magic atom‐number cluster features a Mackay‐type neste…