A Golden-Ratio Ladder and a Delocalisation-Saturated Participation Bridge for the Hydrogen-Bond Network of Liquid Water

We organize the ultrafast hydrogen-bond timescales and far-infrared/terahertz band centres of liquid water on a single golden-ratio ladder, anchored to the 80 fs H-bond contraction time and indexed by a loop-free tetrahedral Bethe sequence. Both data sets fall inside the rung windows set by their shell index, placing them on one spacing from a single time anchor. A separate empirical energy anchor gives a calibrated map of the freezing and density maximum. A TIP4P/Ew analysis shows that participation is delocalisation-saturated rather than linear in shell size, and we fit a corresponding saturating law. The low-frequency intermolecular modes are delocalised over the network, with coherent shell-breathing extending over about one coordination shell, a result stable with temperature. The ladder placements are therefore an organizing construction with explicit calibrations. A statistical assessment (a scan over alternative logarithmic bases and a null-model randomisation) confirms that the bracketing does not statistically single out the golden ratio, so the physical conclusions rest on the measured participation law, not the ladder. Together these establish a calibrated bridge between hydrogen-bond-network topology and vibrational participation, with the ladder supplying the rung spacing and the molecular dynamics the participation law that populates it.

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Publication Details

Journal
Molecules
Published
2026-08-03
DOI
https://doi.org/10.3390/molecules31152701
Primary Topic
Spectroscopy and Quantum Chemical Studies
Type
article
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article

A Golden-Ratio Ladder and a Delocalisation-Saturated Participation Bridge for the Hydrogen-Bond Network of Liquid Water

Elshad Allahyarov, Washburn
Molecules
Spectroscopy and Quantum Chemical Studies
article

A Golden-Ratio Ladder and a Delocalisation-Saturated Participation Bridge for the Hydrogen-Bond Network of Liquid Water

Elshad Allahyarov, Washburn
article en

Abstract

We organize the ultrafast hydrogen-bond timescales and far-infrared/terahertz band centres of liquid water on a single golden-ratio ladder, anchored to the 80 fs H-bond contraction time and indexed by a loop-free tetrahedral Bethe sequence. Both data sets fall inside the rung windows set by their shell index, placing them on one spacing from a single time anchor. A separate empirical energy anchor gives a calibrated map of the freezing and density maximum. A TIP4P/Ew analysis shows that participation is delocalisation-saturated rather than linear in shell size, and we fit a corresponding saturating law. The low-frequency intermolecular modes are delocalised over the network, with coherent shell-breathing extending over about one coordination shell, a result stable with temperature. The ladder placements are therefore an organizing construction with explicit calibrations. A statistical assessment (a scan over alternative logarithmic bases and a null-model randomisation) confirms that the bracketing does not statistically single out the golden ratio, so the physical conclusions rest on the measured participation law, not the ladder. Together these establish a calibrated bridge between hydrogen-bond-network topology and vibrational participation, with the ladder supplying the rung spacing and the molecular dynamics the participation law that populates it.

MoleculesVol. 31(15)
EarthTech International (United States) (US), Joint Institute for High Temperatures (RU), Heinrich Heine University Düsseldorf (DE), Case Western Reserve University (US)
Peace, Justice and strong institutions
Openalex Percentile: Top 10%
Spectroscopy and Quantum Chemical Studies
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