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Related Concept Videos

UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this process,...
Molecular Spectroscopy: Absorption and Emission01:14

Molecular Spectroscopy: Absorption and Emission

Molecules possess discrete energy levels called quantum states. Unlike atoms, which have simpler energy levels, molecules possess additional rotational and vibrational energy levels. Each energy level is separated by an energy gap, with the gaps between adjacent electronic, vibrational, and rotational levels varying significantly. The three types of energy levels in a diatomic molecule are shown in Figure 1.
¹H NMR: Long-Range Coupling01:27

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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 π orbitals.
NMR Spectroscopy: Spin–Spin Coupling01:08

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The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved in...
Interaction of EM Radiation with Matter: Spectroscopy01:12

Interaction of EM Radiation with Matter: Spectroscopy

Electromagnetic (EM) radiation can be considered an oscillating electric and magnetic field propagating through a medium that can interact with matter in its path. The electric field in the radiation can interact with electrical charges in the atoms or molecules in the matter. On the other hand, the magnetic field can interact with the magnetic field in the atomic nucleus. The study of the interaction between electromagnetic radiation and matter is termed spectroscopy. Spectroscopy is the study...
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Atomic spectroscopy is a vital tool in elemental analysis, both qualitatively and quantitatively. It can be broadly divided into optical spectroscopy, mass spectroscopy, and X-ray spectroscopy methods. The optical spectroscopic methods are atomic absorption spectroscopy (AAS), atomic emission spectroscopy (AES), and atomic fluorescence spectroscopy (AFS). The first step in all three methods is atomization, where the solid, liquid, or solution-phase samples are converted into gas-phase atoms and...

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Updated: May 23, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Published on: May 27, 2020

Strong exciton coupling: a practical toolbox for computing interaction energies, wavefunctions, and optical spectra.

Rasmus Ringström1, S Rasoul Hashemi1, Yuanxin Liang1

  • 1Department of Chemistry and Molecular Biology, University of Gothenburg, Box 462, 405 30, Gothenburg, Sweden. karl.borjesson@gu.se.

Chemical Society Reviews
|May 22, 2026
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Summary

Organic dye properties depend on molecular structure and packing. Strong exciton coupling forms new hybrid states, impacting light harvesting and material science applications.

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Area of Science:

  • Physical Chemistry
  • Materials Science
  • Spectroscopy

Background:

  • The color and photophysical behavior of organic dyes are influenced by both chemical structure and intermolecular interactions.
  • Approximation of dye molecules leads to interactions between transition dipole moments, potentially altering excited states.

Purpose of the Study:

  • To review the phenomenon of strong exciton coupling in organic dyes.
  • To discuss theoretical models for understanding hybrid states formed by exciton coupling.
  • To explore potential scientific and technological applications of strong exciton coupling.

Main Methods:

  • Discussion of theoretical frameworks, including Coulombic exciton models.
  • Exploration of extensions incorporating vibronic coupling and charge-transfer interactions.
  • Inclusion of worked examples to link theory with experimental observations.

Main Results:

  • Strong exciton coupling can lead to the formation of J- and H-aggregates with unique photophysical properties.
  • Theoretical models provide a means to predict and understand these altered properties.
  • Examples from nature (light-harvesting complexes, leaf colors) illustrate the phenomenon.

Conclusions:

  • Strong exciton coupling is a fundamental phenomenon governing the behavior of aggregated organic dyes.
  • Advanced theoretical approaches are crucial for modeling these complex interactions.
  • Further development holds promise for significant scientific and technological advancements.