Related Experiment Video
Updated: May 10, 2026
08:12
Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance
Published on: September 5, 2018
Unique water-water coordination tailored by a metal surface
T Schiros1, K J Andersson, J MacNaughton
1Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California 94025, USA.
The Journal of Chemical Physics
|June 28, 2013
Summary
Substrate-mediated electrostatics cause zigzag water chains on Cu(110). An unexpected water configuration, similar to a hydrated electron, was identified using x-ray absorption spectroscopy and DFT simulations.
Area of Science:
- Surface Science
- Physical Chemistry
- Materials Science
Background:
- Water adsorption on metal surfaces is crucial for catalysis and electrochemistry.
- Substrate-mediated interactions significantly influence molecular assembly.
- Previous studies observed zigzag water chains on Cu(110) via scanning tunneling microscopy (STM).
Purpose of the Study:
- To elucidate the atomic-scale structure and electronic properties of water chains on Cu(110).
- To investigate the role of substrate-mediated electrostatics in water self-assembly.
- To identify the electronic signature of unusual water configurations.
Main Methods:
- X-ray absorption spectroscopy (XAS) to probe electronic structure.
- Density functional theory (DFT) for spectrum simulations and structural analysis.
- Scanning tunneling microscopy (STM) for structural observation (cited reference).
Main Results:
- An anomalous low-energy resonance at ~533.1 eV was detected via XAS.
- DFT simulations assigned this resonance to water units with uncoordinated O-H bonds facing neighbors.
- This configuration repeats over electron-rich trough sites on the Cu(110) surface.
Conclusions:
- The study reveals an unexpected water configuration on Cu(110) driven by substrate electrostatics.
- This structure exhibits electronic properties analogous to a hydrated electron.
- The findings provide new insights into water-metal interactions at the nanoscale.
Related Concept Videos
02:51Metal-Ligand Bonds
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
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,...
00:43Complexometric Titration: Ligands
Different monodentate and polydentate ligands are used as complexing agents in complexometric titration reactions. The formation of complexes by mono- and bidentate ligands involves two or more intermediate steps, limiting their use as complexing agents. In comparison, polydentate ligands can form complexes with metal ions in a single-step process, facilitating sharper end points. This means polydentate ligands, such as amino carboxylic acid derivatives, are most commonly employed in...
02:57Coordination Number and Geometry
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
02:42Valence Bond Theory
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
03:02Colors and Magnetism
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human eye.