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Related Concept Videos

Stability of Substituted Cyclohexanes02:30

Stability of Substituted Cyclohexanes

This lesson discusses the stability of substituted cyclohexanes with a focus on energies of various conformers and the effect of 1,3-diaxial interactions.
The two chair conformations of cyclohexanes undergo rapid interconversion at room temperature. Both forms have identical energies and stabilities, each comprising equal amounts of the equilibrium mixture. Replacing a hydrogen atom with a functional group makes the two conformations energetically non-equivalent.
For example, in...
Chirality at Nitrogen, Phosphorus, and Sulfur02:30

Chirality at Nitrogen, Phosphorus, and Sulfur

Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
Stability of Conjugated Dienes01:28

Stability of Conjugated Dienes

Introduction
A comparison of the enthalpies of hydrogenation of dienes reveals that conjugated dienes release less heat on hydrogenation, rendering them more stable than their nonconjugated analogs.
Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
The hydrogen atoms linked to carbons are arranged in two different axial and equatorial orientations to achieve this staggered...

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Related Experiment Video

Updated: Jul 2, 2026

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
08:01

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization

Published on: August 18, 2022

Hydrazine Adsorption on Hexagonal Ice (0001): First-Principles Investigations on Stability, Dynamics, and Chirality

Pawel Rodziewicz1,2, Marta Polanska1, Bernd Meyer2

  • 1Institute of Chemistry, Jan Kochanowski University of Kielce, Kielce, Poland.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|July 1, 2026
PubMed
Summary

This study explores hydrazine adsorption on hexagonal ice surfaces using DFT and molecular dynamics. Hydrazine self-aggregation and molecular rearrangements on ice were analyzed, revealing insights into atmospheric chemistry.

Keywords:
Car–Parrinello molecular dynamicsdensity functional theoryhydrazinehydrogen bondice surface

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

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Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
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Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

Published on: January 15, 2014

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A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
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Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
08:46

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

Published on: January 15, 2014

Area of Science:

  • Atmospheric Chemistry
  • Surface Science
  • Computational Chemistry

Background:

  • Hydrazine is a hazardous chemical used in rocket fuels, potentially entering the atmosphere.
  • Polar stratospheric clouds contain ice particles that can adsorb atmospheric molecules like hydrazine.
  • Understanding hydrazine-ice interactions is crucial for atmospheric chemistry and safety.

Purpose of the Study:

  • To investigate hydrazine adsorption on the hexagonal ice (0001) surface.
  • To analyze the energetic and structural properties of hydrazine monomers and dimers on ice.
  • To study hydrazine self-aggregation and molecular dynamics on the ice surface.

Main Methods:

  • Density Functional Theory (DFT) for static calculations.
  • Car-Parrinello molecular dynamics simulations.
  • Analysis of molecule-molecule and molecule-substrate interactions.

Main Results:

  • Identified various stable adsorption configurations for hydrazine monomers and dimers on the ice surface.
  • Quantified the strength of hydrazine-hydrazine and hydrazine-ice interactions.
  • Observed molecular rearrangements and potential enantiomer interconversion of hydrazine on ice.

Conclusions:

  • Hydrazine can adsorb and self-aggregate on hexagonal ice surfaces.
  • DFT and molecular dynamics simulations provide valuable insights into hydrazine-ice interactions.
  • Further research can explore the implications for atmospheric processes and hazardous chemical transport.