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Related Concept Videos

Stereoisomerism of Cyclic Compounds02:33

Stereoisomerism of Cyclic Compounds

In this lesson, we delve into the role of ring conformation and its stability, which determines the spatial arrangement and, consequently, the molecular symmetry and stereoisomerism of cyclic compounds. 1,2-Dimethylcyclohexane is used as a case study to evaluate the possible number of stereoisomers. Here, given the multiple (n = 2) chiral centers, there are 2n = 4 possible configurations that lack a plane of symmetry, as the ring skeleton exists in a non-planar chair conformation. In addition,...
Disubstituted Cyclohexanes: cis-trans Isomerism02:37

Disubstituted Cyclohexanes: cis-trans Isomerism

Depending upon the different spatial orientation of the substituents, the disubstituted cycloalkanes exhibit two types of stereoisomers. The cis isomers have the substituents on the same side of the ring, whereas the trans isomers have the substituents on the opposite sides. These stereoisomers exhibit different physical properties and cannot be interconverted without breaking the carbon-carbon bonds.
In cyclohexane, the substituents can occupy different positions generating distinct isomers.
Stereoisomerism02:52

Stereoisomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
Thermal Sigmatropic Reactions: Overview01:16

Thermal Sigmatropic Reactions: Overview

Sigmatropic rearrangements are a class of pericyclic reactions in which a σ bond migrates from one part of a π system to another. These are intramolecular rearrangements where the total number of σ and π bonds remain unchanged.
Sigmatropic shifts are classified based on an order term [i, j ], where i and j indicate the number of atoms across which each end of the σ bond migrates. Below are examples of a [3,3] sigmatropic shift in 1,5-hexadiene, referred to as...
Structural Isomerism02:34

Structural Isomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...
[3,3] Sigmatropic Rearrangement of Allyl Vinyl Ethers: Claisen Rearrangement01:24

[3,3] Sigmatropic Rearrangement of Allyl Vinyl Ethers: Claisen Rearrangement

The Claisen rearrangement is a [3,3] sigmatropic rearrangement of allyl vinyl ethers to unsaturated carbonyl compounds. The rearrangement is a concerted pericyclic reaction proceeding via a chair-like transition state.

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Related Experiment Video

Updated: Jun 16, 2026

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Statistical model for small clusters transforming from one isomer to another.

Xiao-Jing Han1, Yin Wang, Zheng-Zhe Lin

  • 1Institute of Modern Physics, Applied Ion Beam Physics Laboratory, and Department of Nuclear Science and Technology, Fudan University, Shanghai 200433, China.

The Journal of Chemical Physics
|February 16, 2010
PubMed
Summary

A new statistical model predicts cluster transformation times. At room temperature, C(12) isomers take over 10 trillion years to reach stability, highlighting the slow dynamics of small clusters.

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

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Last Updated: Jun 16, 2026

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Small clusters exhibit complex isomeric transformations.
  • Understanding these transformations is crucial for predicting material properties and reaction pathways.
  • The kinetic energy of atoms in small clusters can follow Boltzmann distributions.

Purpose of the Study:

  • To develop a statistical model for predicting the time scales of isomeric transformations in small clusters.
  • To validate the model using molecular dynamics simulations.
  • To extrapolate the model's predictions to lower temperatures, including room temperature.

Main Methods:

  • Development of a statistical model based on the Boltzmann distribution of atomic kinetic energy.
  • Extensive molecular dynamics simulations of C(12) isomer transformations in helium gas.
  • High-temperature simulations (2000-3500 K) to parameterize and test the model.

Main Results:

  • The statistical model accurately predicts cluster transformation times.
  • Simulations of C(12) isomers in helium gas validated the model's predictions.
  • Extrapolation to room temperature indicates extremely long transformation times.

Conclusions:

  • The developed statistical model provides a reliable method for estimating cluster isomeric transformation times.
  • Carbon-12 clusters exhibit exceptionally slow dynamics at lower temperatures.
  • Isomerization processes in small clusters are highly temperature-dependent, with significant implications for their long-term stability.