ArticleNature communications2022
The coupling of the hydrated proton to its first solvation shell.
Article in Nature communications, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers, 1 of them a synthesis that pooled it.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
14 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Hydrated proton complexes supplementation for tumor microenvironment reprogramming: a bioenergetic strategy targeting the Warburg effect and mitochondrial dysfunction.Frontiers in oncology · 2025Pooled it
- Deciphering the infrared spectrum of the hydrated proton using full-dimensional quantum dynamics.Nature chemistry · 2026Article
- Angstrom-Scale Confined Ion Sieve and Accelerator for Efficient Aqueous Zinc Batteries.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Infrared Spectroscopy of Protonated Water Clusters via the Quantum Thermal Bath Method and Highly Accurate Machine-Learned Potentials.The journal of physical chemistry. A · 2026Article
- Complementing Onsager's Conductivity Theory by Grotthuss Mechanism Mitigation via Ion-Induced Depletion of Hydrogen-Bond-Donating Water.Journal of chemical theory and computation · 2026Article
- Tuned interfacial hydrogen bonds for enhanced HCommunications chemistry · 2026Article
- Cation-directed assembly and sequential functionalization enable superprotonic polyanion-organic frameworks for high-power fuel cells.Nature chemistry · 2026Article
- Revisiting the HThe journal of physical chemistry. A · 2025Review
- Unveiling the intermediate hydrated proton in water through vibrational analysis on the 1750 cmNature communications · 2025Article
- Benchmarking Vibrational Spectra: 5000 Accurate Eigenstates of Acetonitrile Using Tree Tensor Network States.The journal of physical chemistry letters · 2025Article
- Bicarbonate-mediated proton transfer requires cations.Nature communications · 2024Article
- The Determination of Free Energy of Hydration of Water Ions from First Principles.Journal of chemical theory and computation · 2024Article
- The coupling of the hydrated proton to its first solvation shell.Nature communications · 2022Article
- State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak.Chemical science · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The Zundel ([Formula: see text]) and Eigen ([Formula: see text]) cations play an important role as intermediate structures for proton transfer processes in liquid water. In the gas phase they exhibit radically different infrared (IR) spectra. The question arises: is there a least common denominator structure that explains the IR spectra of both, the Zundel and Eigen cations, and hence of the solvated proton? Full dimensional quantum simulations of these protonated cations demonstrate that two dynamical water molecules and an excess proton constitute this fundamental subunit. Embedded in the static environment of the parent Eigen cation, this subunit reproduces the positions and broadenings of its main excess-proton bands. In isolation, its spectrum reverts to the well-known Zundel ion. Hence, the dynamics of this subunit polarized by an environment suffice to explain the spectral signatures and anharmonic couplings of the solvated proton in its first solvation shell.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.