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Related Concept Videos

Atomic Nuclei: Nuclear Spin State Overview01:03

Atomic Nuclei: Nuclear Spin State Overview

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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...
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Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

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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,...
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Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

1.0K
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...
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Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

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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.
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Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

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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.
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NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

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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...
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Three individually addressable spin qubits in a single molecule.

Ivana Borilovic1, Olivier Roubeau2, Boris Le Guennic3

  • 1Departament de Química Inorgànica and IN2UB, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain. aromi@ub.edu.

Chemical Communications (Cambridge, England)
|June 15, 2022
PubMed
Summary
This summary is machine-generated.

A new ligand creates molecular arrangements of three magnetic nickel-copper pairs. These pairs demonstrate potential as qubits for quantum computing applications.

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Area of Science:

  • Molecular Magnetism
  • Quantum Computing Materials

Background:

  • Development of molecular systems for quantum information processing is crucial.
  • Spin-based qubits require well-defined magnetic centers with controllable interactions.

Purpose of the Study:

  • To design and synthesize an asymmetric ligand for constructing novel molecular magnetic materials.
  • To investigate the magnetic properties and qubit potential of the resulting metal-nichel-copper complexes.

Main Methods:

  • Asymmetric bis-phenol-β-diketone ligand synthesis.
  • Coordination chemistry to form [NiCu] pairs.
  • Electron Paramagnetic Resonance (EPR) spectroscopy.
  • Magnetometry measurements.

Main Results:

  • Successful design and synthesis of the H4L ligand.
  • Formation of a molecular arrangement with three magnetically exchanged [NiCu] pairs.
  • Each [NiCu] pair exhibits an S = 1/2 spin.
  • EPR and magnetometry confirm non-equivalent and suitable qubit properties for the pairs in the solid state.

Conclusions:

  • The designed ligand effectively promotes the assembly of functional molecular magnetic units.
  • The [NiCu] pairs represent promising candidates for qubit realization in molecular quantum gates.
  • The non-equivalence of qubits is a key feature for implementing conditional quantum operations.