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

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

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

1.9K
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...
1.9K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

1.6K
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
1.6K
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

1.7K
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the involved orbitals. The...
1.7K
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

1.6K
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,...
1.6K
¹H NMR Signal Multiplicity: Splitting Patterns01:13

¹H NMR Signal Multiplicity: Splitting Patterns

8.4K
When protons A and X are coupled, their nuclear spin energy levels are slightly modified. This is because the energy required to excite proton A to a spin state parallel to proton X is slightly different from the energy required for it to become anti-parallel to spin X. Consequently, there are two possible excitation frequencies for A (A1 and A2), depending on the spin state of X, and vice versa. The mutual nature of coupling implies that the difference between frequencies A1 and A2, indicated...
8.4K
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

2.9K
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...
2.9K

You might also read

Related Articles

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

Sort by
Same author

Structure-property relationships in subnanometric transition metal tetramers.

RSC advances·2026
Same author

The potential energy surface, thermochemistry, and cooperative hydrogen bonding in the water octamer.

The Journal of chemical physics·2026
Same author

The Role of Non-covalent Interactions in the Molecular Recognition and Attachment of the Chikungunya Virus to the MXRA8 Receptor.

Chembiochem : a European journal of chemical biology·2026
Same author

Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations.

Journal of chemical information and modeling·2026
Same author

Coordination of lead(II) in solvated clusters with water [Pb(H<sub>2</sub>O)<sub>1-8</sub>]<sup>2+</sup>: insights from relativistic effects, energy analysis, molecular orbitals, and electron density.

Physical chemistry chemical physics : PCCP·2025
Same author

Unraveling the influence of defects on Sulfonamide adsorption onto Blue-phosphorene nanotube using density functional theory.

PloS one·2025

Related Experiment Video

Updated: Mar 25, 2026

Optimizing Magnetic Force Microscopy Resolution and Sensitivity to Visualize Nanoscale Magnetic Domains
07:42

Optimizing Magnetic Force Microscopy Resolution and Sensitivity to Visualize Nanoscale Magnetic Domains

Published on: July 20, 2022

3.5K

Spin-Orbit Coupling Effects in AumPtn Clusters (m + n = 4).

Norberto Moreno1, Franklin Ferraro2, Elizabeth Flórez3

  • 1Instituto de Química, Universidad de Antioquia UdeA , Calle 70 No. 52-21, Medellín, Colombia.

The Journal of Physical Chemistry. A
|February 20, 2016
PubMed
Summary

Spin-orbit coupling significantly impacts gold-platinum clusters, altering their structures, energy levels, and charge distributions. These relativistic effects are crucial for understanding cluster stability and properties, especially with increasing platinum content.

More Related Videos

Magnetic Tweezers for the Measurement of Twist and Torque
11:41

Magnetic Tweezers for the Measurement of Twist and Torque

Published on: May 19, 2014

24.0K
Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
09:06

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope

Published on: March 24, 2019

8.7K

Related Experiment Videos

Last Updated: Mar 25, 2026

Optimizing Magnetic Force Microscopy Resolution and Sensitivity to Visualize Nanoscale Magnetic Domains
07:42

Optimizing Magnetic Force Microscopy Resolution and Sensitivity to Visualize Nanoscale Magnetic Domains

Published on: July 20, 2022

3.5K
Magnetic Tweezers for the Measurement of Twist and Torque
11:41

Magnetic Tweezers for the Measurement of Twist and Torque

Published on: May 19, 2014

24.0K
Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope
09:06

Visualizing Uniaxial-strain Manipulation of Antiferromagnetic Domains in Fe1+YTe Using a Spin-polarized Scanning Tunneling Microscope

Published on: March 24, 2019

8.7K

Area of Science:

  • Computational Chemistry
  • Relativistic Quantum Chemistry
  • Materials Science

Background:

  • Gold-platinum clusters are of interest due to their unique catalytic and electronic properties.
  • Relativistic effects, particularly spin-orbit coupling, can significantly influence the electronic structure and stability of heavy element systems.

Purpose of the Study:

  • To investigate the influence of spin-orbit (SO) coupling on the structural, electronic, and energetic properties of AunPtm (m + n = 4) clusters.
  • To compare scalar relativistic (SR) and two-component relativistic methods using the ZORA Hamiltonian.

Main Methods:

  • Utilized scalar relativistic (SR) and two-component relativistic methods with the ZORA Hamiltonian.
  • Employed the PW91 functional and an all-electron TZ2P basis set for calculations.
  • Analyzed spin-orbit coupling effects on cluster geometries, LUMO-HOMO gap, charge distribution, and relative energies.

Main Results:

  • Spin-orbit coupling induced significant energetic rearrangements and changes in cluster geometries and structural preferences.
  • The structural identity of the global minimum was altered for Au3Pt, AuPt3, and Pt4 clusters due to SO coupling.
  • Relative energies among clusters were reduced by SO coupling, with this effect intensifying as platinum content increased.

Conclusions:

  • Spin-orbit coupling is a critical factor in determining the properties of AunPtm clusters.
  • Relativistic calculations are essential for accurately predicting the behavior and stability of these heavy element clusters.
  • The findings provide valuable insights into the design and application of gold-platinum nanoclusters.