Synthetic nonheme Fe^IV═O complexes reported thus far often have S = 1 ground states, demonstrating markedly lower oxidative reactivity in C─H bond breakage compared to their S = 2 counterparts....

We develop a geometric formulation of thermodynamic response in interacting spin systems and apply it to the two-dimensional Ising model. Treating inverse temperature and magnetic field as coordinates...

Quantum-mechanical tunneling enables molecules to react even when their energy is below the activation barrier. Nonetheless, it is not normally expected that the dominant mechanism of chemical reactions...

Non-haem dietary iron reaches the duodenum as a dynamic mixture of Fe(III) and Fe(II) complexes whose solubility and exchange kinetics are strongly influenced by pH, reductants, proteases, lipases, carbohydrases,...

Strain engineering offers an effective way to regulate the spin state and oxygen evolution reaction (OER) activity of single-atom catalysts (SACs). Here, spin-polarized density functional theory (DFT)...

We investigate quantum percolation in a honeycomb lattice with site dilution and random spin-orbit coupling. Using exact diagonalization combined with finite-size scaling analysis, we study the metal-insulator...

In critical lattice models, distance (r)-dependent correlation functions contain power laws r^{-2Δ} governed by scaling dimensions Δ of an underlying continuum field theory. In Monte Carlo simulations...

The critical behavior of the Baxter-Wu model belongs to the universality class of the four-state Potts model. While the introduction of annealed vacancies does not alter the criticality of the four-state...

[2Fe2S] synthetic model complexes serve as benchmarks for intermediates proposed in enzyme catalysis, and elucidate how structural effects influence the electronic structure of the cluster. Access to...

Despite significant advances in gold chemistry, the EPR spectroscopic identification of a transient Au(II) species remains highly challenging. Herein, in the study of a bromination reaction of terminal...

Charge utilization in photocatalytic CO₂ reduction in covalent organic frameworks (COFs) depends not only on generating long-lived charges but on directing them efficiently to catalytic sites....

Electrocatalytic nitrate reduction provides a sustainable pathway for wastewater treatment and ammonia production, yet the complex multi‑electron transfer demands efficient catalysts to achieve both...

High-purity X-ray polarimetry has so far been established only in the low-energy range up to 14.4 keV and has therefore been applied exclusively to the Mössbauer isotope ⁵⁷Fe. Here we extend...

Two-dimensional conductive metal-organic frameworks (c-MOFs) are promising electrocatalysts for the oxygen reduction reaction (ORR), yet nearly all optimization strategies have focused on metal-node modification...

Aryl substituents, characterized by unique π-conjugation, steric effects, and optical properties, play a crucial role in modulating the structure, electronic and photophysical properties of coordination...

Unsymmetrical N-aryl-N'-alkylpyridyl β-diketiminate ligands (HL1 and HL2) enable fine control over the coordination geometry, spin-state, and reactivity of nickel(II) and nickel(I) complexes through...

Oxygen evolution reaction (OER) with spin-forbidden transitions is a key bottleneck in efficient water splitting. Here, a magnetic field (MF)-assisted microbial corrosion strategy is developed to construct...

We present a scalable method for electrically tuning multiple spatially separated quantum dots (QDs) embedded in photonic crystal waveguides. Ion implantation into the top p-doped layer of a <i>p-i-n</i>...

Spin-state engineering of active sites represents a key strategy for boosting catalytic performance, as demonstrated in thermal ammonia synthesis. However, conventional promoter-mediated ground-state...

Terahertz (THz) chiral metasurfaces can discriminate between left- and right-handed circularly polarized (LCP/RCP) waves and are therefore promising for polarization-resolved detection and chiral spectroscopy;...

Large anelastic relaxations have been found near the transition temperature in spin crossover (SCO) materials due to stress-induced changes in spin state. To investigate the mechanistic aspects of this...

We report the synthesis and characterization of an anionic triiron μ3-methyl cluster [(FtbsL)Fe3(μ3-CH3)]- and its one-electron oxidized neutral congener (FtbsL)Fe3(μ3-CH3). The anionic cluster [(FtbsL)Fe3(μ3-CH3)]-...

We report the coexistence of long-range ferromagnetic ordering and cluster spin-glass behavior in a face-centered cubic nickel vanadium hexacyanoferrate molecular magnet (space group <i>Fm</i>3<i>m</i>,...

Artificial spin ices are arrays of coupled nanomagnets, which exhibit a variety of fascinating collective behaviour including emergent magnetic monopoles and novel phase transitions. However, they have...

Iron parent imides serve as key intermediates for iron-promoted nitrogen fixation and ammonia oxidation. However, these active species are difficult to be isolated, and their reactivities are underexplored....

We investigate quantum-state properties of thermal two-spin-1/2 NMR systems under external magnetic fields, with the goal of translating density-matrix-based quantum quantities into experimentally accessible...

pH-gated coordination-induced spin-state switching (CISSS) offers a chemically addressable route to manipulate Fe(III) spin energetics in solution, yet synchronizing spin-state response with hydration...

The development of atomic site catalysts has stepped onto a higher stage in recent years. Substantial research progress has been attained, including the precise regulation of atomic moieties, mechanistic...

Electrooxidative C - C bond cleavage often encounters poor regioselectivity and low efficiency in conventional single-anode systems. Here, we deliberately customize a bipolar enzymic electrocatalyst HM@MM-MWCNT...

Mössbauer parameters of low spin six coordinate [Fe(II)(Por)L₂] and [Fe(II)(Por)LX] complexes (where Por is PPIX or a synthetic porphyrin; L is OH^-, H₂O, a nitrogenous...

We report a nanomechanical study of ca. 1 µm thick crystalline films of the molecular spin crossover (SCO) complex [Fe(HB(1,2,4-triazol-1-yl)₃)₂] across its thermal spin transition....

Herein we disclose a novel route to redox-active vanadacyclobutadiene (VCBD) and vanadatetrahedrane (VT_d) complexes, which circumvents a vanadium alkylidyne precursor ([V^V][triple...

The synthesis, characterization, and electronic structure of a mixed-valent triiron complex of redox-active tppz ligands [{Fe0(CO)2(μ-tppz•-)}2FeII] are discussed. This complex bears a low-spin FeII...

Dilute magnetic semiconductors (DMSs) provide a platform for electrically controlling spin interactions; however, conventional systems face limited gate tunability and structural disorder. Here, we demonstrate...

The role of partially filled 3d states in governing defect tolerance in halide perovskites remains unclear, particularly in the presence of strong intra-atomic exchange and metal-halide covalency. Using...

Transformations in metal coordination environments, particularly their impact on spin-state transitions, remain underexplored in peroxymonosulfate (PMS)-based advanced oxidation processes (AOPs). In this...

Peroxymonosulfate (PMS)-based Fenton-like systems have emerged as a promising technology for extracellular antibiotic resistance gene (eARG) elimination in water remediation, yet the simultaneous realization...

Barocaloric effects (BCE) represent an appealing refrigeration technology and have attracted great interest recently. However, most BCE materials still cannot meet real-world refrigeration requirements...

Spin-state control in metallosupramolecular systems represents a central challenge in the design and development of stimuli-responsive molecular materials, with far-reaching implications for sensing,...