Related Experiment Video
Updated: Aug 11, 2026
10:28
Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Electrons and hydrogen-bond connectivity in liquid water
M V Fernández-Serra1, Emilio Artacho
1Laboratoire de Physique de la Matière Condensée et Nanostructures (LPMCN) and UMR CNRS 5586, Université Claude Bernard Lyon 1, 69622 Villeurbanne, France. marivi@lpmcn.univ-lyon1.fr
Physical Review Letters
|February 21, 2006
Summary
Network connectivity in liquid water is redefined using electronic signatures of hydrogen bonds (HBs), not just geometry. Water molecules remain bound via HBs over time, irrespective of electronic changes, offering new insights into water
Area of Science:
- Physical Chemistry
- Materials Science
- Computational Physics
Background:
- Traditional analysis of liquid water network connectivity relies on geometric criteria for hydrogen bonds (HBs).
- Recent X-ray absorption studies prompt a re-evaluation of these criteria.
- Understanding water's dynamic network is crucial for various scientific disciplines.
Purpose of the Study:
- To revise the understanding of network connectivity in liquid water.
- To explore the role of electronic signatures in defining hydrogen bonds (HBs).
- To investigate the persistence of HBs beyond geometric or electronic fluctuations.
Main Methods:
- Utilizing ab initio molecular-dynamics simulations at ambient conditions.
- Analyzing electronic signatures of hydrogen bonds (HBs) instead of solely geometric parameters.
- Observing dynamic network reshaping and molecular oscillations.
Main Results:
- Instantaneous threadlike structures in the electronic network were observed but are transient.
- These structures exhibit oscillations similar to modes found in ice, with a characteristic time (tau) of approximately 170 fs.
- Crucially, water molecules initially linked by a hydrogen bond (HB) remain effectively bound over extended periods, irrespective of electronic signature variations.
Conclusions:
- The electronic signature provides a more nuanced view of hydrogen bond (HB) dynamics in liquid water.
- Liquid water's network connectivity is highly dynamic, characterized by transient electronic structures and persistent molecular binding.
- This revised perspective challenges purely geometric definitions and highlights the enduring nature of hydrogen bonds (HBs) in water.
Related Concept Videos
01:04Hydrogen Bonds
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
00:26Hydrogen Bonds
Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
01:01Introduction to Chemical Bonds
Chemical Bonds
The electrons of the outermost energy level determine the energetic stability of the atom and its tendency to form chemical bonds with other atoms. The innermost electron shell has a maximum capacity of two electrons, but the next two electron shells can each have a maximum of eight electrons. This is known as the octet rule, which states that, with the exception of the innermost shell, atoms are most stable energetically when they have eight electrons in their valence shell, the...
The electrons of the outermost energy level determine the energetic stability of the atom and its tendency to form chemical bonds with other atoms. The innermost electron shell has a maximum capacity of two electrons, but the next two electron shells can each have a maximum of eight electrons. This is known as the octet rule, which states that, with the exception of the innermost shell, atoms are most stable energetically when they have eight electrons in their valence shell, the...
01:07Cohesion
Cohesion is the attraction between molecules of the same type, such as water molecules. Water molecules have an overall neutral charge but are polar molecule. An oxygen atom in one water molecule has a partial negative charge that can bind to a hydrogen atom with a partial positive charge in a second water molecule, forming a hydrogen bond. Each water molecule can form up to four hydrogen bonds with other water molecules. Hydrogen bonds are responsible for water's cohesive nature.
On a surface,...
On a surface,...
01:08Covalent Bonds
Overview
When two atoms share electrons to complete their valence shells, they create a covalent bond. An atom's electronegativity—the force with which shared electrons are pulled towards an atom—determines how the electrons are shared. Molecules formed with covalent bonds can be either polar or nonpolar. Atoms with similar electronegativities form nonpolar covalent bonds; the electrons are shared equally. Atoms with different electronegativities share electrons unequally, creating polar bonds.
When two atoms share electrons to complete their valence shells, they create a covalent bond. An atom's electronegativity—the force with which shared electrons are pulled towards an atom—determines how the electrons are shared. Molecules formed with covalent bonds can be either polar or nonpolar. Atoms with similar electronegativities form nonpolar covalent bonds; the electrons are shared equally. Atoms with different electronegativities share electrons unequally, creating polar bonds.
01:29Covalent Bonds
When two atoms share electrons to complete their valence shells they create a covalent bond. An atom’s electronegativity—the force with which shared electrons are pulled towards an atom—determines how the electrons are shared. Molecules formed with covalent bonds can be either polar or nonpolar. Atoms with similar electronegativities form nonpolar covalent bonds; the electrons are shared equally. Atoms with different electronegativities share electrons unequally, creating polar bonds.A Covalent...