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Related Concept Videos

Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

14.2K
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...
14.2K
Conformations of Cyclohexane02:11

Conformations of Cyclohexane

12.0K
Cyclohexane does not exist in a planar form due to the high angle and torsional strain it would experience in the planar structure. Instead, it adopts non-planar chair and boat conformations.
The chair form is the most stable and derives its name from its resemblance to the “easy chair.” In the chair conformation, two carbon atoms are arranged out-of-plane — one above and one below, minimizing the torsional strain. In the chair form, the bond angle is very close to the ideal...
12.0K
[3,3] Sigmatropic Rearrangement of Allyl Vinyl Ethers: Claisen Rearrangement01:24

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

2.1K
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.
2.1K
Stereoisomerism of Cyclic Compounds02:33

Stereoisomerism of Cyclic Compounds

8.6K
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,...
8.6K
[3,3] Sigmatropic Rearrangement of 1,5-Dienes: Cope Rearrangement01:21

[3,3] Sigmatropic Rearrangement of 1,5-Dienes: Cope Rearrangement

2.6K
The Cope rearrangement is classified as a [3,3] sigmatropic shift in 1,5-dienes, leading to a more stable, isomeric 1,5-diene. The reaction involves a concerted movement of six electrons, four from two π bonds and two from a σ bond, via an energetically favorable chair-like transition state.
2.6K
Conformations of Cycloalkanes02:29

Conformations of Cycloalkanes

11.5K
Adolf von Baeyer attempted to explain the instabilities of small and large cycloalkane rings using the concept of angle strain — the strain caused by the deviation of bond angles from the ideal 109.5° tetrahedral value for sp3  hybridized carbons. However, while cyclopropane and cyclobutane are strained, as expected from their highly compressed bond angles, cyclopentane is more strained than predicted, and cyclohexane is virtually strain-free. Hence, Baeyer’s theory that...
11.5K

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Conformational isomerization in Co(acac)2via spin-state switch: a computational study.

Shalini Joshi1, Sabyasachi Roy Chowdhury1,2, Sabyashachi Mishra1

  • 1Department of Chemistry, Indian Institute of Technology Kharagpur, Kharagpur, India. mishra@chem.iitkgp.ac.in.

Dalton Transactions (Cambridge, England : 2003)
|March 19, 2025
PubMed
Summary
This summary is machine-generated.

Ligand conformational changes in cobalt(II) complexes can trigger spin transitions. A low-energy pathway facilitates isomerization between square-planar (low-spin) and tetrahedral (high-spin) states, influencing magnetic properties.

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Area of Science:

  • Coordination Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Ligand dynamics in transition metal complexes influence physical and magnetic properties.
  • Electron configurations and spin states are sensitive to ligand environment and molecular geometry.

Purpose of the Study:

  • Investigate spin transitions in cobalt(II) bis(acetylacetonate) [Co(acac)2] complexes.
  • Elucidate the role of ligand conformational rearrangement in spin state changes.

Main Methods:

  • Electronic structure calculations.
  • Analysis of molecular geometry and energy barriers.
  • Calculation of magnetic properties.

Main Results:

  • Co(acac)2 exhibits square-planar (low-spin) and tetrahedral (high-spin) geometries.
  • A low-energy pathway via a minimum-energy crossing point facilitates spin-state-coupled isomerization.
  • Isomerization barriers are 10 kcal mol⁻¹ (tetrahedral to square-planar) and 2 kcal mol⁻¹ (reverse).
  • A significant magnetic anisotropy barrier of 57.6 cm⁻¹ was calculated for the high-spin state.

Conclusions:

  • Conformational dynamics of ligands can induce spin transitions in cobalt complexes.
  • The identified low-energy pathway enables efficient spin-state interconversion.
  • These findings offer insights into designing materials with switchable magnetic properties.