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Hydrogen Bonds01:04

Hydrogen Bonds

13.1K
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
13.1K
Hydrogen Bonds00:26

Hydrogen Bonds

129.8K
Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
129.8K
IR Spectrum Peak Broadening: Hydrogen Bonding01:23

IR Spectrum Peak Broadening: Hydrogen Bonding

1.7K
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...
1.7K
NMR Spectroscopy Of Amines01:19

NMR Spectroscopy Of Amines

10.9K
In proton NMR spectroscopy, primary amines and secondary amines showcase their N–H protons as a broad signal in the chemical shift range between δ 0.5 and 5 ppm. The exact position in this range depends on several factors, including sample concentration, hydrogen bonding, and the type of solvent used. Since amine protons undergo fast proton exchange in solution, the protons are labile and therefore do not participate in any splitting with adjacent protons. Thus, the observed peak is...
10.9K
NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones01:15

NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones

5.4K
In aldehydes, the hydrogen atom connected to the carbonyl carbon helps distinguish aldehydes from other carbonyl compounds using ¹H NMR spectroscopy. The closeness of aldehydic hydrogen to the electrophilic carbonyl carbon highly deshields the hydrogen atom causing its signal to appear around 10 ppm in the ¹H NMR spectra. α hydrogens split the aldehydic proton signal, which helps identify the number of α hydrogens in the molecule. For instance, one α hydrogen creates a...
5.4K
¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

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

1.3K
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.
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Millisecond Hydrogen/Deuterium-Exchange Mass Spectrometry for the Study of Alpha-Synuclein Structural Dynamics Under Physiological Conditions
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Hydrogen Bonds Induce Double-Well Spectroscopic Signatures in α-Glycine.

Noam Pinsk1, Nimrod Benshalom1, Michal Hartstein2

  • 1Department of Chemical and Biological Physics, Weizmann Institute of Science, Rehovot 76100, Israel.

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|October 31, 2025
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This study reveals how hydrogen bonds in alpha-glycine crystals create unique vibrational features. We show these features directly link to the double-well potential of hydrogen bonds, using Raman spectroscopy.

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Area of Science:

  • Solid-state chemistry
  • Spectroscopy
  • Crystallography

Background:

  • Hydrogen bonds in molecular crystals are typically modeled using double-well potentials.
  • Direct experimental evidence linking these potentials to specific vibrational spectroscopic features is scarce.

Purpose of the Study:

  • To investigate the relationship between hydrogen-bond potentials and vibrational spectroscopic anomalies in alpha-glycine.
  • To establish alpha-glycine as a model system for understanding hydrogen-bond dynamics.

Main Methods:

  • Temperature- and polarization-dependent Raman spectroscopy.
  • Isotope substitution experiments.
  • First-principles calculations.
  • Spectral simulations using asymmetric double-well potential models.

Main Results:

  • Observed two Raman peaks violating conventional selection rules in alpha-glycine.
  • These peaks anomalously merge and narrow with increasing temperature.
  • Harmonic models and thermal broadening could not explain the observed spectral behavior.
  • Simulations using an evolving asymmetric double-well potential successfully reproduced the peak merging.

Conclusions:

  • The anomalous Raman features in alpha-glycine originate from a single, evolving asymmetric double-well potential.
  • This study provides direct evidence linking microscopic hydrogen-bond potentials to macroscopic vibrational spectroscopic signatures.
  • Alpha-glycine serves as a key model system for studying hydrogen-bond behavior in molecular crystals.