Observation of an Associative State in Aqueous Hydroxide

Journal of the American Chemical Society, Год журнала: 2025, Номер unknown

Опубликована: Март 10, 2025

The dynamics of chemical reactions in solution are paramount importance fields ranging from biology to materials science. Because the hydrogen-bond network and proton govern behavior aqueous solutions, they have been subject numerous studies over years. Here, we report observation a previously unknown associative state hydroxide ion that forms when neighboring water molecule approaches ion, utilizing resonant inelastic soft X-ray scattering (RIXS) quantum dynamical simulations. State-of-the-art theoretical analysis reveals mixing electronically excited states between ions solvent. Our results give new insights into bonding excited-state environment. This investigation opens up pathways for spectroscopic reaction lays foundation directly accessing dynamic exchange solution.

Язык: Английский

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Elucidating Raman Auger Behavior in Cu, Cu₂O and CuO by Resonant Auger Electron Spectroscopy to Interpret X‐ray Absorption Spectroscopy

Small Methods, Год журнала: 2025, Номер unknown

Опубликована: Апрель 3, 2025

Abstract The understanding and modulation of electronic structures on copper oxides are great value in the fields material science condensed matter physics. Due to full or nearly 3d electrons, band Cu its have not been clearly investigated terms experiments calculations. Here mapping resonant Auger electron spectroscopy ( m RAS) is utilized understand non‐radiative decay process core hole around absorption threshold. RAS can be used for X‐ray (XAS) high energy resolution detection mode (HERED), which help interpret L 3,2 ‐edge XAS. Additionally, results distinguish band‐structure exitonic contribution XAS spectra. Together with spectral calculations, origin asymmetrical main peak 3 2 O explained. Moreover, non‐linear Raman profile threshold also found CuO, correlated core‐hole intermediate state process. This work demonstrates progressiveness method traditional spectrum, enhance capability study complex related systems.

Язык: Английский

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Advancements in Molecular and Cluster Physics: Challenges and Innovations

Nanoscience and Nanometrology, Год журнала: 2025, Номер 9(1), С. 1 - 10

Опубликована: Апрель 10, 2025

Molecular and cluster physics is an interdisciplinary field that explores the properties interactions of small groups atoms molecules, providing critical insights into behavior matter at Nano scale. Recent advancements in experimental techniques, theoretical models, computational methods have significantly enhanced our understanding molecular dynamics formation. This paper reviews these innovations, highlighting key developments spectroscopy, microscopy, mass spectrometry revolutionized characterization systems. Techniques such as Cryogenic Electron Microscopy (Cryo-EM) enabled researchers to visualize clusters with unprecedented resolution, while advanced facilitate precise analysis composition stability. In parallel, models evolved, Density Functional Theory (DFT) machine learning algorithms playing pivotal roles predicting optimizing configurations. These not only improved ability model complex systems but also opened new avenues for exploring fundamental principles governing behavior. Despite significant strides, still faces numerous challenges. The complexity interactions, particularly larger clusters, complicates accurate modeling prediction. Experimental limitations, resolution sensitivity constraints, can hinder study transient or unstable assemblies. Moreover, rapid increase data generated by techniques necessitates robust management strategies ensure effective interpretation. Innovations stemming from far-reaching implications across various domains, including material science medicine. For instance, lead development novel materials tailored properties, catalysts nanomaterial’s. medicine, gained enhance drug design delivery mechanisms, ultimately improving therapeutic outcomes. Looking ahead, future will depend on integration approaches, collaboration. By addressing challenges embracing innovative methodologies, continue advance contribute a deeper aims encapsulate current state research physics, emphasizing both achievements path forward studies.

Язык: Английский

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Fractionalized excitations and resonant inelastic x-ray spectra in frustrated spin-1/2 trimer chains

Physical review. B./Physical review. B, Год журнала: 2025, Номер 111(20)

Опубликована: Май 5, 2025

Язык: Английский

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Coupling experiment and theory to push the state-of-the-art in X-ray spectroscopy

Nature Reviews Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Май 30, 2025

Язык: Английский

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Ultrafast dissociation of ammonia: Auger Doppler effect and redistribution of the internal energy

Physical Chemistry Chemical Physics, Год журнала: 2022, Номер 24(10), С. 5842 - 5854

Опубликована: Янв. 1, 2022

We study vibrationally-resolved resonant Auger (RAS) spectra of ammonia recorded in coincidence with the NH2+ fragment, which is produced course dissociation either core-excited 1s-14a11 intermediate state or first spectator 3a-24a11 final state. Correlation ion flight times electron kinetic energies allows directly observing Auger-Doppler dispersion for each vibrational fragment. The median distribution energy release EKER, derived from data, shows three distinct branches as a function Ee: Ee + 1.75EKER = const molecular band; EKER fragment and region preceding band. deviation band attributed to redistribution available excitation internal degrees freedom found that line dispersive behavior EKERvs. very sensitive instrumental uncertainty determination causing competition between Raman (EKER const) (Ee dispersions: increase broadening finite resolution leads change one.

Язык: Английский

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RIXS interferometry and the role of disorder in the quantum magnet Ba3Ti3−xIrxO9

Physical Review Research, Год журнала: 2023, Номер 5(1)

Опубликована: Март 10, 2023

Motivated by several claims of spin-orbit-driven spin-liquid physics in hexagonal ${\mathrm{Ba}}_{3}{\mathrm{Ti}}_{3\ensuremath{-}x}{\mathrm{Ir}}_{x}{\mathrm{O}}_{9}$ hosting ${\mathrm{Ir}}_{2}{\mathrm{O}}_{9}$ dimers, we report on resonant inelastic x-ray scattering (RIXS) at the Ir ${L}_{3}$ edge for different $x$. We demonstrate that magnetism is governed an unconventional realization strong disorder, where cation disorder affects character local moments. RIXS interferometry, studying intensity over a broad range transferred momentum $\mathbf{q}$, ideally suited to assign excitations sites. find pronounced Ir-Ti site mixing. Both ions are distributed two crystallographically inequivalent sites, giving rise coexistence quasimolecular singlet states dimers and spin-orbit-entangled $j=1/2$ moments $5{d}^{5}\phantom{\rule{4pt}{0ex}}{\mathrm{Ir}}^{4+}$ ions. reveals kinds magnetic couplings bonding geometries, highlighting role suppression long-range order this family compounds.

Язык: Английский

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Elementary excitations of single-photon emitters in hexagonal boron nitride

Nature Materials, Год журнала: 2024, Номер 23(9), С. 1230 - 1236

Опубликована: Апрель 23, 2024

Язык: Английский

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Unraveling higher-order contributions to spin excitations probed using resonant inelastic x-ray scattering

Physical review. B./Physical review. B, Год журнала: 2022, Номер 106(6)

Опубликована: Авг. 18, 2022

Resonant inelastic x-ray scattering (RIXS) is an evolving tool for investigating spin dynamics of strongly correlated materials, which complements neutron scattering. Both techniques have found that non-spin-conserving (NSC) excitations in quasi-1D isotropic quantum antiferromagnets are confined to the two-spinon phase space. Outside this space, only spin-conserving (SC) four-spinon been detected using O $K$-edge RIXS. Here, we investigate SrCuO$_2$ and find outside space at both $K$- Cu $L_3$-edges. Using Kramers-Heisenberg formalism, demonstrate arise from SC NSC processes $L_3$-edge. We show these new appear second-order terms ultra-fast core-hole lifetime expansion long-range fluctuations. These results thus open a window magnets.

Язык: Английский

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Jahn–Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene

Physical Chemistry Chemical Physics, Год журнала: 2023, Номер 25(9), С. 6733 - 6745

Опубликована: Янв. 1, 2023

Carbon K-edge resonant Auger spectra of gas-phase allene following excitation the pre-edge 1s → π* transitions are presented and analysed with support EOM-CCSD/cc-pVTZ calculations.

Язык: Английский

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