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Related Concept Videos

Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis. This...
Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

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...
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
Atomic Nuclei: Types of Nuclear Relaxation01:28

Atomic Nuclei: Types of Nuclear Relaxation

Nuclear relaxation restores the equilibrium population imbalance and can occur via spin–lattice or spin–spin mechanisms, which are first-order exponential decay processes.
In spin–lattice or longitudinal relaxation, the excited spins exchange energy with the surrounding lattice as they return to the lower energy level. Among several mechanisms that contribute to spin–lattice relaxation, magnetic dipolar interactions are significant. Here, the excited nucleus transfers energy to a nearby...
Atomic Nuclei: Nuclear Spin01:08

Atomic Nuclei: Nuclear Spin

All atomic particles possess an intrinsic angular momentum, or 'spin'. Electrons, protons, and neutrons each have a spin value of ½, although protons and neutrons in nuclei may have higher half-integer spins owing to energetic factors.
Atomic nuclei have a net nuclear spin, , which can have an integer or half-integer value. In atomic nuclei, the spins of protons are paired against each other but not with neutrons, and vice versa. Consequently, an even number of protons does not contribute to...
Nuclear Stability03:18

Nuclear Stability

Protons and neutrons, collectively called nucleons, are packed together tightly in a nucleus. With a radius of about 10−15 meters, a nucleus is quite small compared to the radius of the entire atom, which is about 10−10 meters. Nuclei are extremely dense compared to bulk matter, averaging 1.8 × 1014 grams per cubic centimeter. If the earth’s density were equal to the average nuclear density, the earth’s radius would be only about 200 meters.
To hold positively charged protons together in the...

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Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
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Nuclear dynamics for a three-state Jahn-Teller model system.

Pascal Krause1, Spiridoula Matsika

  • 1Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA.

The Journal of Chemical Physics
|January 28, 2012
PubMed
Summary
This summary is machine-generated.

This study explores quantum wavepacket dynamics near a three-state conical intersection. Coupling strength influences dynamic details but not dramatically population transfer in the Jahn-Teller problem.

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Area of Science:

  • Quantum dynamics
  • Molecular systems
  • Jahn-Teller effect

Background:

  • Conical intersections are crucial for non-adiabatic processes in molecules.
  • The Jahn-Teller effect describes geometric distortions in degenerate electronic states.

Purpose of the Study:

  • Investigate wavepacket dynamics around a three-state conical intersection.
  • Analyze the influence of coupling parameters and initial wavepacket position.

Main Methods:

  • Multiconfigurational time-dependent Hartree (MCTDH) method.
  • Utilized a vibronic model Hamiltonian for the T ⊗ (e + t(2)) Jahn-Teller problem.

Main Results:

  • Coupling strength had a limited impact on overall population transfer.
  • Specific dynamic pathways and mode involvement were sensitive to coupling parameters.

Conclusions:

  • The study elucidates the nuanced effects of coupling on quantum dynamics at conical intersections.
  • Findings provide insights into non-adiabatic processes in systems exhibiting the Jahn-Teller effect.