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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

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Cluster structure evolution in binary TMS-H₂O/D₂O mixtures: Insights into molecular interactions.

Xueliang Xu¹, Xiaokai Liu¹, Haixin Wang¹

¹Key Laboratory of Physics and Technology for Advanced Batteries, College of Physics, Jilin University, Changchun 130012, China.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy

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Summary

Tetramethylene sulfone (TMS) alters water and heavy water clustering without direct hydrogen bonding. TMS addition transforms water structures and influences heavy water cluster dynamics, affecting Raman spectra.

Keywords:

Anomalous hydrogen bonding Molecular cluster Stimulated Raman spectroscopy TMS-H(2)O/D(2)O Water structure

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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

Area of Science:

Physical Chemistry
Spectroscopy
Solution Chemistry

Background:

Understanding solvent-solute interactions is crucial for chemical processes.
Hydrogen bonding networks in aqueous solutions dictate their properties.
Tetramethylene sulfone (TMS) is an organic solvent with unique properties.

Purpose of the Study:

To investigate the hydrogen bonding network in tetramethylene sulfone (TMS)-water/heavy water binary solutions.
To elucidate the structural changes in water and heavy water induced by varying TMS concentrations.
To analyze the influence of TMS on molecular clustering and hydrogen bond dynamics.

Main Methods:

Spontaneous Raman spectroscopy.
Stimulated Raman spectroscopy.
Analysis of binary solutions with varying volume ratios of TMS to water/heavy water.

Main Results:

TMS does not directly hydrogen bond with water or heavy water molecules.
Increasing TMS concentration alters water clustering, favoring dimers and trimers below 60% V_TMS.
TMS influences heavy water cluster structure by affecting OD bond symmetry, causing shifts in Raman peaks.
Above 60% V_TMS, structural changes in water/heavy water clusters diminish.
Stimulated Raman spectra show a single peak above 25% V_TMS.

Conclusions:

Tetramethylene sulfone acts as a structure-breaker in water and heavy water solutions.
The observed spectral changes provide insights into the disruption of hydrogen bonding networks by TMS.
The findings contribute to understanding solvent effects in complex aqueous systems.