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Related Concept Videos

¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

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The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
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¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

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

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

2.7K
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.
2.7K
Stereoisomerism of Cyclic Compounds02:33

Stereoisomerism of Cyclic Compounds

8.9K
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,...
8.9K
Structural Isomerism02:34

Structural Isomerism

19.2K
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...
19.2K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.1K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
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Related Experiment Video

Updated: Jul 10, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

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Local probe-induced structural isomerization in a one-dimensional molecular array.

Shigeki Kawai1,2, Orlando J Silveira3, Lauri Kurki3

  • 1Center for Basic Research on Materials, National Institute for Materials Science, Tsukuba, Ibaraki, Japan. KAWAI.Shigeki@nims.go.jp.

Nature Communications
|November 25, 2023
PubMed
Summary
This summary is machine-generated.

Researchers created chiral dehydroazulene and diradical units in organometallic compounds. Controlled isomerization and spin transitions were achieved, paving the way for advanced molecular devices.

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Spatial Separation of Molecular Conformers and Clusters
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Spatial Separation of Molecular Conformers and Clusters
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Area of Science:

  • Organometallic Chemistry
  • Surface Science
  • Molecular Electronics

Background:

  • Tailored stereoisomers in molecular arrays are crucial for molecular opto-, electronic-, and magnetic-devices.
  • Controlling local array structure is key to functional properties.

Purpose of the Study:

  • Demonstrate construction and characterization of dehydroazulene isomer and diradical units.
  • Investigate controlled structural isomerization on a surface.
  • Explore magnetic properties of the diradical moiety.

Main Methods:

  • Low-temperature scanning tunneling microscopy (STM) for structural manipulation and characterization.
  • Density functional theory (DFT) calculations for theoretical insights.
  • Tip-induced voltage pulses for inducing chemical transformations.

Main Results:

  • Formation of diradical species via C-Br bond fission, followed by transformation into chiral dehydroazulene moieties.
  • Controlled, directional isomerization between diradical and dehydroazulene stereoisomers using STM.
  • Theoretical prediction of an open-shell singlet diradical with antiferromagnetic coupling, capable of spin transition.

Conclusions:

  • Achieved controlled synthesis and manipulation of complex molecular units on a surface.
  • Demonstrated potential for on-surface isomerization and spin state control.
  • Highlights the role of local structure and electronic properties in designing molecular devices.