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Updated: Jul 11, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Water vapour induced structural flexibility in a square lattice coordination network
Kyriaki Koupepidou1, Andrey A Bezrukov1, Dominic C Castell1
1Bernal Institute, Department of Chemical Sciences, University of Limerick, Limerick V94 T9PX, Republic of Ireland. xtal@ul.ie.
Researchers developed a novel coordination network, sql-(1,3-bib)(ndc)-Ni, exhibiting unique phase transformations. Its humidity-induced S-shaped isotherm profile indicates potential as an effective desiccant material.
Area of Science:
- Materials Science
- Chemistry
- Nanotechnology
Background:
- Coordination networks are advanced materials with tunable properties.
- Understanding phase transformations is crucial for material applications.
- Developing efficient desiccants is important for various industrial processes.
Purpose of the Study:
- Introduce a new square lattice topology coordination network, sql-(1,3-bib)(ndc)-Ni.
- Investigate its gas and vapor-induced phase transformations.
- Evaluate its potential as a desiccant material.
Main Methods:
- Synthesis of the sql-(1,3-bib)(ndc)-Ni coordination network.
- Exposure to various gases and vapors to induce phase changes.
- Analysis of gas/vapor adsorption isotherms, particularly under humidity.
- Characterization of structural and phase transformations.
Main Results:
- The novel sql-(1,3-bib)(ndc)-Ni coordination network was successfully synthesized.
- The material demonstrated distinct phase transformations upon exposure to gases and vapors.
- Humidity exposure yielded an S-shaped adsorption isotherm.
- The observed isotherm suggests significant water adsorption capabilities.
Conclusions:
- The new coordination network exhibits interesting phase transition behaviors.
- The S-shaped isotherm under humidity points to potential desiccant applications.
- Further research can explore optimizing sql-(1,3-bib)(ndc)-Ni for moisture control.
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