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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...
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,...
Deactivation Processes: Jablonski Diagram01:25

Deactivation Processes: Jablonski Diagram

Luminescence, the emission of light by a substance that has absorbed energy, is a process that involves the interaction of molecules with light. The energy-level diagram, or Jablonski diagram, is a graphical representation of these interactions, illustrating the various states and transitions a molecule can undergo. In a typical Jablonski diagram, the lowest horizontal line represents the ground-state energy of the molecule, which is usually a singlet state. This state represents the energies...
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...
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...
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

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...

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Related Experiment Video

Updated: Jun 27, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits.

Diego Sorbelli1,2, Giulia Galli2,3,4

  • 1Department of Chemistry, Biology and Biotechnology, University of Perugia, Via Elce di Sotto 8, Perugia 06123, Italy.

JACS Au
|June 26, 2026
PubMed
Summary

Researchers explored molecular qubits for quantum technology. They identified chemical and structural factors influencing spin-flip radiative lifetime, crucial for efficient spin readout in quantum information science.

Keywords:
molecular qubitsoptical addressabilityradiative lifetimespin-flip emissiontransition metal complexes

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Area of Science:

  • Quantum Information Science
  • Materials Science
  • Computational Chemistry

Background:

  • Optically addressable molecular qubits utilize spin-flip (SF) emissive transitions for quantum technologies.
  • Key properties like sharp luminescence and tunable optical-spin interfaces make them promising.
  • Microscopic mechanisms governing SF radiative lifetime, essential for spin readout, are underexplored.

Purpose of the Study:

  • Investigate computational study of Cr⁴⁺ and Mo⁴⁺ pseudotetrahedral molecular qubits.
  • Identify chemical and structural features influencing SF emission transition dipole moment.
  • Understand factors governing SF radiative lifetime for molecular qubits.

Main Methods:

  • Computational study of Cr⁴⁺ and Mo⁴⁺ pseudotetrahedral molecular qubits.
  • Analysis of multireference character of spin-flip excited-state wave function.
  • Modulation of d orbital energy separation and spin-pairing energy.

Main Results:

  • Identified chemical and structural features influencing SF emission transition dipole moment.
  • Magnitude of dipole moment is governed by multireference character of SF excited-state wave function.
  • SF radiative lifetime can be modulated by molecular symmetry, bond covalency, and anisotropy.

Conclusions:

  • Provided a mechanistic framework for understanding and tuning SF radiative behavior.
  • Findings guide future advances in molecular qubits and SF emitters for quantum information science.
  • Modulation strategies include ligand/metal design and applied strain for sensing applications.