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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,...
Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...
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...
UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

Organic compounds with conjugated double bonds show strong absorption features in the UV–visible region of the electromagnetic spectrum attributed to π → π* electronic excitations. Generally, a UV–vis absorption spectrum is recorded as a plot of absorbance vs wavelength. The wavelength of maximum absorbance, which manifests as a peak in the absorption spectrum, is denoted as λmax.
One of the factors influencing λmax is the extent of conjugation in the...
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

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...
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...

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Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures
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Published on: October 9, 2012

Elucidating quantum number-dependent coupling matrix elements using picosecond time-resolved photoelectron

Julia A Davies1, Katharine L Reid

  • 1School of Chemistry, University of Nottingham, Nottingham NG7 2RD, United Kingdom.

Physical Review Letters
|December 11, 2012
PubMed
Summary
This summary is machine-generated.

We observed quantum beating in parafluorotoluene photoelectron intensity, revealing two wave packet components and their dephasing. This provides insights into intramolecular vibrational energy redistribution and coupling elements.

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Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
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Last Updated: May 16, 2026

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures
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Published on: October 9, 2012

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
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Area of Science:

  • Physical Chemistry
  • Molecular Spectroscopy
  • Quantum Dynamics

Background:

  • Intramolecular vibrational energy redistribution (IVR) is crucial for understanding energy flow in molecules.
  • Studying excited electronic states provides insights into molecular dynamics.

Purpose of the Study:

  • To measure quantum beating patterns in S(1) parafluorotoluene photoelectron intensity.
  • To analyze the wave packet dynamics and determine coupling matrix elements.

Main Methods:

  • Excitation of a low-lying ring breathing state in S(1) parafluorotoluene.
  • Measurement of photoelectron intensity quantum beating patterns.
  • Analysis of wave packet dephasing and component identification.

Main Results:

  • Observed quantum beating patterns sensitive to wave packet evolution.
  • Identified two incoherent wave packet components, one with rapid dephasing.
  • Determined coupling matrix elements dependent on torsional and rotational quantum numbers.

Conclusions:

  • Quantum beating analysis offers high sensitivity to molecular wave packet dynamics.
  • The study elucidates the nature of IVR in parafluorotoluene.
  • Coupling matrix elements are strongly influenced by specific quantum states.