Thermodynamic Properties of Hydrogen-Bonded Water Complexes
Summary
Hydrogen‐bonded water complexes encompass a wide range of molecular assemblies, from dimers and small clusters to extended networks in bulk liquid. Every hydrogen bond contributes a characteristic enthalpy and alters the system entropy, with zero‐point energy and nuclear quantum effects further modulating the free‐energy landscape. In small clusters, the stepwise formation of bonds governs proton transfer thresholds and the onset of dissociation, whereas in bulk water cooperative interactions give rise to anomalous heat capacity and compressibility. Calorimetric measurements, high‐resolution spectroscopy and advanced simulations have elucidated how hydrogen bonds influence vibrational frequency shifts, phase transitions and solvation dynamics. The balance between internal energy and configurational entropy dictates cluster stability, acid–water association and network percolation. Understanding these thermodynamic properties has profound implications for atmospheric chemistry, biological solvation, electrochemical interfaces and materials design, where control of hydrogen‐bond strength and connectivity underpins functionality across scales.
Research from Nature Portfolio
No recent Nature Portfolio content available.
Thermodynamic Properties of Hydrogen-Bonded Water Complexes publication trend
The graph below shows the total number of articles in thermodynamic properties of hydrogen-bonded water complexes across all publications each year (not limited to Nature Index journals).
Technical terms
Hydrogen bond: A directional interaction between a hydrogen atom covalently bound to an electronegative donor (e.g. O–H) and an acceptor lone pair, central to molecular recognition and network formation.
Free energy: The thermodynamic potential (G) combining enthalpy and entropy that determines spontaneity and equilibrium in chemical processes (ΔG = ΔH – TΔS).
Zero‐point energy: The lowest possible quantum mechanical energy of a molecular vibration or network, present even at absolute zero, affecting bond strengths and dynamics.
Configurational entropy: The entropy contribution arising from the number of distinct spatial arrangements of molecules or bonds within a system.
Percolation transition: A critical phenomenon in which an infinite cluster of connected bonds emerges, marking a phase change in network connectivity and macroscopic properties.
References
- Soft experimental constraints for soft interactions: a spectroscopic benchmark data set for weak and strong hydrogen bonds. Physical Chemistry Chemical Physics (2019).
- Percolation transition and bimodal density distribution in hydrogen fluoride. The Journal of Chemical Physics (2024).
- Generating Excess Protons in Microsolvated Acid Clusters under Ambient Conditions: An Issue of Configurational Entropy versus Internal Energy. Chemistry - A European Journal (2020).
About these summaries
This Nature Research Intelligence Topic summary is created with the cited references and a large language model. We take care to ground generated text with facts, and have systems in place to gain human feedback on the overall quality of the process in line with our AI principles. We strive to create accurate and useful summaries for people unfamiliar with the research topic and that supports this goal. These pages are a beta release and will be updated as we learn how best to help people gain value from a research topic summary.
Turn complex research questions into confident strategic decisions
When you're under pressure to set direction, justify investment, or understand your competitive position, you need more than raw data — you need trusted insights you can act on.
Benchmark your performance against global peers using robust, methodologically sound analysis.
Combine quantitative metrics with qualitative expert insight to uncover strengths, gaps and emerging opportunities.
Gain tailored, decision-ready recommendations aligned to your strategic priorities.
Talk to us to learn more about our data dashboards and bespoke strategy reports.
Grow research skills, confidence and careers with training built for every stage of the research lifecycle.
Developed with Nature Portfolio journal Editors and internationally renowned experts. Discover three ways to learn:
Self-paced, online courses in convenient bite-sized units, covering key skills across scientific writing, publishing, grant writing, data analysis, and more.
Expert trainer-led workshops with hands-on exercises and real-time feedback across core research skills, delivered via interactive group sessions.
Editor-led workshops combining core principles in writing and publishing, personalised 1:1 feedback from Nature Portfolio Editors and hands-on exercises.
Explore course catalogues and workshop agendas, enquire about the options or request institutional pricing.