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Related Concept Videos

¹H NMR of Labile Protons: Temporal Resolution01:10

¹H NMR of Labile Protons: Temporal Resolution

Protons bonded to heteroatoms such as nitrogen and oxygen exhibit a range of chemical shift values. This is due to the varying degree of hydrogen bonding between the proton and the heteroatom in other molecules. The extent of hydrogen bonding affects the electron density around the proton, thereby giving different chemical shift values for the protons in the proton NMR spectrum.
The –OH proton in alcohols typically appears in the range of δ 2 to 5 ppm but can vary depending on the specific...
Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration02:34

Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration

The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
IR Spectrum Peak Broadening: Hydrogen Bonding01:23

IR Spectrum Peak Broadening: Hydrogen Bonding

The vibrational frequency of a bond is directly proportional to its bond strength. As a result, stronger bonds vibrate at higher frequencies, while weaker bonds vibrate at lower frequencies. The stretching vibration of the strong O–H bond in alcohols and phenols (very dilute solution or gas phase) appears as a sharp peak at 3600–3650 cm−1.
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¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

¹H NMR of Labile Protons: Deuterium (²H) Substitution

This lesson illustrates the role of deuterium substitution in simplifying the NMR spectrum of compounds comprising labile protons. One method employed is the use of deuterium. Amongst the three isotopes of hydrogen, deuterium (2H) has a nucleus composed of one proton and one neutron. When the D2O solvent is added to a pure dry ethanol solution, its labile proton is substituted with deuterium.
Aldehydes and Ketones with Water: Hydrate Formation01:20

Aldehydes and Ketones with Water: Hydrate Formation

An oxygen-based nucleophile, like water, can undergo addition reactions with aldehydes and ketones. The reaction leads to the formation of hydrates, also referred to as 1,1-diols or geminal diols.
The formation of hydrates is a reversible reaction. Hydrate formation is influenced by steric and electronic factors accompanying the alkyl substituents on the carbonyl group: The rate of hydrate formation increases with a decrease in the number of alkyl groups attached to the carbonyl carbon. Hence,...
Solvating Effects02:12

Solvating Effects

An understanding of the solvating effect helps rationalize the relation between solvation and acidity of the compound. In addition, this also explains the relative stability of conjugate bases for compounds with different pKa values. This lesson details, in-depth, the principle of solvating effects. The strength of an acid and the stability of its corresponding conjugate base are determined using pKa values. This observed relationship is a consequence of solvation, which is the interaction...

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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Published on: May 27, 2018

Cavity-Enhanced Raman Spectroscopy Revealed Competitive Hydrogen-Bond Restructuring in Ethanol-Water Solutions.

Ying Wang1, Jiazhe Sun2,3, Chenglin Sun2

  • 1School of Optoelectronic Engineering, Changchun University of Science and Technology, Changchun 130022, China.

The Journal of Physical Chemistry Letters
|May 26, 2026
PubMed
Summary
This summary is machine-generated.

This study reveals three structural regimes in ethanol-water mixtures, driven by competitive hydrogen bonding. Molecular dynamics simulations and spectroscopy show how water-ethanol interactions shift, leading to microphase separation at high ethanol concentrations.

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Area of Science:

  • Physical Chemistry
  • Chemical Physics
  • Spectroscopy

Background:

  • Hydrogen-bond networks govern the properties of molecular liquids like ethanol-water solutions.
  • Understanding these networks is crucial for explaining macroscopic behavior.

Purpose of the Study:

  • To investigate the competitive restructuring of hydrogen-bond networks in ethanol-water solutions.
  • To identify distinct structural regimes based on ethanol concentration.
  • To elucidate the molecular-level origins of these structural transformations.

Main Methods:

  • Cavity-enhanced Raman spectroscopy for high-sensitivity detection of intermolecular vibrations.
  • Molecular dynamics (MD) simulations to model hydrogen-bond redistribution.
  • Analysis of O-H stretching features, including the free O-H mode.

Main Results:

  • Identified three structural regimes: water networks, dimer coexistence, and ethanol self-association with microphase separation.
  • Observed a nonlinear shift in hydrogen bonding from water-water to water-ethanol interactions around 70% ethanol.
  • Correlated spectral changes in O-H features with structural transitions.

Conclusions:

  • Cavity-enhanced Raman spectroscopy effectively probes hierarchical hydrogen-bond dynamics.
  • MD simulations provide molecular insights into the observed structural regimes.
  • The study offers a molecular-level explanation for the complex behavior of ethanol-water mixtures.