Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Molecular Orbital Theory I02:35

Molecular Orbital Theory I

46.3K
Overview of Molecular Orbital Theory
46.3K
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.3K
Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
1.3K
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

2.6K
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...
2.6K
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

1.5K
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
1.5K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.4K
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.4K
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

1.8K
NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...
1.8K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

The Journal of chemical physics·2026
Same author

Molecular regulation and physiological role of GOLPH3-mediated Golgi retention.

Nature communications·2026
Same author

A pictorial (and hopefully pedagogical) discussion on the Born-Oppenheimer approximation.

Foundations of chemistry·2026
Same author

A Coupled-Trajectory Strategy for Decoherence, Frustrated Hops and Internal Consistency in Surface Hopping.

Journal of chemical theory and computation·2026
Same author

The return of metabolism: biochemistry and physiology of glycolysis.

Biological reviews of the Cambridge Philosophical Society·2025
Same author

Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization.

The journal of physical chemistry letters·2025

Related Experiment Video

Updated: Dec 29, 2025

Direct Imaging of Laser-driven Ultrafast Molecular Rotation
10:52

Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Published on: February 4, 2017

10.1K

Spin-Orbit Interactions in Ultrafast Molecular Processes.

Francesco Talotta1,2, Sabine Morisset2, Nathalie Rougeau2

  • 1Laboratoire de Chimie Physique, UMR 8000 CNRS/University Paris-Sud, University Paris-Saclay, 91405 Orsay, France.

Physical Review Letters
|February 8, 2020
PubMed
Summary

We explore spin-orbit interactions in ultrafast molecular processes using the exact factorization method. Our approach accurately simulates spin-forbidden transitions, crucial for understanding molecular dynamics.

More Related Videos

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

7.2K
Molecular Beam Mass Spectrometry With Tunable Vacuum Ultraviolet VUV Synchrotron Radiation
09:53

Molecular Beam Mass Spectrometry With Tunable Vacuum Ultraviolet VUV Synchrotron Radiation

Published on: October 30, 2012

13.3K

Related Experiment Videos

Last Updated: Dec 29, 2025

Direct Imaging of Laser-driven Ultrafast Molecular Rotation
10:52

Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Published on: February 4, 2017

10.1K
Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
08:22

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

7.2K
Molecular Beam Mass Spectrometry With Tunable Vacuum Ultraviolet VUV Synchrotron Radiation
09:53

Molecular Beam Mass Spectrometry With Tunable Vacuum Ultraviolet VUV Synchrotron Radiation

Published on: October 30, 2012

13.3K

Area of Science:

  • Quantum Chemistry
  • Molecular Dynamics
  • Spectroscopy

Background:

  • Spin-orbit interactions are critical in molecular processes.
  • Accurate simulation of ultrafast dynamics is challenging.
  • Existing methods face inconsistencies in electronic representations.

Purpose of the Study:

  • To investigate spin-orbit interactions in ultrafast molecular dynamics.
  • To develop a robust theoretical framework for spin-forbidden processes.
  • To address inconsistencies in current electronic structure calculations.

Main Methods:

  • Employing the exact factorization of the electron-nuclear wave function.
  • Revisiting the derivation to include spin-orbit coupling.
  • Developing a novel trajectory-based simulation scheme.

Main Results:

  • The time-dependent potential energy surface alleviates representational inconsistencies.
  • The proposed scheme successfully simulates spin-forbidden non-radiative processes.
  • Demonstrated performance in excited-state dynamics involving spin-orbit coupling.

Conclusions:

  • The exact factorization method provides a consistent framework for spin-orbit effects.
  • The trajectory-based scheme offers a powerful tool for studying spin-forbidden molecular dynamics.
  • This work advances the understanding of complex molecular processes.