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Related Concept Videos

¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

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 slanted or...
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

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, resulting in...
IR Spectroscopy: Molecular Vibration Overview01:24

IR Spectroscopy: Molecular Vibration Overview

When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

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.
Proton (¹H) NMR: Chemical Shift01:07

Proton (¹H) NMR: Chemical Shift

Organic molecules primarily contain carbon and hydrogen atoms. While all the hydrogen isotopes are NMR-active, protium or hydrogen-1 is the most abundant. It has a significant energy separation between its nuclear spin states due to its large gyromagnetic ratio. As per Boltzmann's distribution, an increase in the energy separation implies a greater excess population of nuclei available for excitation, resulting in a strong NMR absorption signal.
Absorption signals of all the protium nuclei in a...
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.

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Related Experiment Video

Updated: Jul 11, 2026

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

Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Published on: February 4, 2017

Information content of high harmonics generated from aligned molecules.

S Ramakrishna1, Tamar Seideman

  • 1Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208-3113, USA.

Physical Review Letters
|October 13, 2007
PubMed
Summary

We developed a new formula for harmonic signals from aligned molecules, considering electronic and rotational movements. This simplifies analysis and explains experimental results, opening new avenues for molecular dynamics research.

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Last Updated: Jul 11, 2026

Direct Imaging of Laser-driven Ultrafast Molecular Rotation
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Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
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Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization

Published on: August 6, 2018

Area of Science:

  • Molecular Physics
  • Quantum Optics
  • Spectroscopy

Background:

  • Harmonic generation in molecules is a key phenomenon in ultrafast science.
  • Understanding molecular dynamics requires accurate theoretical models.
  • Previous models often simplified or neglected coupled electronic-rotational motions.

Purpose of the Study:

  • To derive a comprehensive expression for harmonic signals from nonadiabatically aligned molecules.
  • To account for coupled electronic and rotational molecular motions.
  • To provide a physically transparent and computationally efficient analytical model.

Main Methods:

  • Derivation of a theoretical expression for harmonic signal.
  • Introduction of a key approximation for simplification.
  • Analytical treatment of time-dependent harmonic spectra.

Main Results:

  • An explicit expression for harmonic signal including electronic and rotational dynamics.
  • A simplified, transparent, and computationally convenient form of the expression.
  • The derived formula explains recent experimental observations.

Conclusions:

  • The new analytical result provides insights into molecular structure and dynamics.
  • Harmonic generation from aligned molecules offers new experimental opportunities.
  • The model facilitates the study of decoherence and relaxation in molecular systems.