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Related Concept Videos

IR Frequency Region: X–H Stretching01:24

IR Frequency Region: X–H Stretching

1.5K
In IR spectroscopy, signals produced by the X−H bonds (such as C−H, O−H, or N−H) can be observed in the frequency range of  2700–4000 cm–1. The C−H stretching vibration forms sharp bands in the region 2850–3000 cm–1. The presence of the O−H stretching vibration leads to the forming of an absorption band in the frequency range 3650–3200 cm−1. At the same time, N−H stretching can be confirmed by absorption bands in...
1.5K
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration01:16

IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration

3.1K
A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to...
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¹H NMR of Labile Protons: Temporal Resolution01:10

¹H NMR of Labile Protons: Temporal Resolution

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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...
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IR Spectrum Peak Broadening: Hydrogen Bonding01:23

IR Spectrum Peak Broadening: Hydrogen Bonding

1.9K
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.
However, the extent of hydrogen bonding influences the observed stretching frequency and band broadening. Intermolecular or intramolecular...
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Chemical Shift: Internal References and Solvent Effects01:17

Chemical Shift: Internal References and Solvent Effects

1.4K
In an NMR sample, precise measurement of the absolute absorption frequencies of nuclei is difficult. A standard internal reference compound is added, and the frequency difference between the reference signal and sample signals is measured.
The internal reference compound generally used in NMR spectroscopy is tetramethylsilane (TMS). TMS is preferred because it is chemically inert, soluble in NMR solvents, and easily removable. Also, the highly shielded methyl protons in TMS yield an intense...
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Related Experiment Video

Updated: Feb 19, 2026

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

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Probing the OH Stretch in Different Local Environments in Liquid Water.

Y Harada1,2,3, J Miyawaki1,2,3, H Niwa1,2

  • 1Institute for Solid State Physics, The University of Tokyo , 5-1-5, Kashiwanoha, Kashiwa, Chiba 277-8581, Japan.

The Journal of Physical Chemistry Letters
|November 8, 2017
PubMed
Summary

Resonant inelastic X-ray scattering (RIXS) reveals distinct structural environments in liquid water. This study unifies X-ray and vibrational data, supporting a model of high-density liquid (HDL) and low-density liquid (LDL) structures.

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Area of Science:

  • Physical Chemistry
  • Spectroscopy
  • Materials Science

Background:

  • Understanding the complex structure of liquid water is crucial for many scientific disciplines.
  • Previous studies have suggested multiple structural configurations within liquid water, but a unified interpretation remains elusive.

Purpose of the Study:

  • To investigate the structural subensem dynamics in liquid water using advanced spectroscopic techniques.
  • To reconcile X-ray and vibrational spectroscopic data for a comprehensive understanding of water's liquid states.

Main Methods:

  • Utilizing resonant inelastic X-ray scattering (RIXS) to probe vibrational modes.
  • Employing X-ray absorption to selectively target different structural environments within the liquid.
  • Analyzing OH stretch vibrations to identify structural signatures.

Main Results:

  • RIXS successfully resolved vibrational losses associated with the OH stretch in liquid water.
  • The X-ray absorption process enabled the selective probing of distinct structural subensembles.
  • Spectroscopic data supports a unified interpretation of two primary structural environments: high-density liquid (HDL) and low-density liquid (LDL).

Conclusions:

  • Liquid water at ambient conditions exhibits at least two coexisting structural environments.
  • The observed structures are consistent with a predominantly close-packed HDL state with local fluctuations into a strongly tetrahedral LDL state.
  • This work provides a unified framework for interpreting diverse spectroscopic data on liquid water structure.