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Related Concept Videos

Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

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

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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: Two-Bond Coupling (Geminal Coupling)01:20

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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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UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

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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...
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Atomic Nuclei: Nuclear Spin State Overview01:03

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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 one, the...
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All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
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Millisecond Coherence Time in a Tunable Molecular Electronic Spin Qubit.

Joseph M Zadrozny1, Jens Niklas2, Oleg G Poluektov2

  • 1Department of Chemistry, Northwestern University , Evanston, Illinois 60208, United States.

ACS Central Science
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Researchers developed new molecular qubits using transition metal complexes. They achieved a record coherence time (T 2) of ~1 ms by tuning nuclear spin content, paving the way for advanced quantum information processing.

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Area of Science:

  • Quantum information processing (QIP)
  • Molecular quantum computing
  • Spin chemistry

Background:

  • Quantum information processing (QIP) promises to revolutionize fields like chemical modeling and cryptography.
  • The coherence time (T 2) is a critical metric for qubit performance, representing its operational lifetime.
  • Transition metal complexes are promising tunable qubits, but lack synthetic design principles for extended T 2.

Purpose of the Study:

  • To develop novel molecular qubits with enhanced coherence times (T 2).
  • To establish synthetic design principles for improving qubit performance in transition metal complexes.
  • To investigate the impact of ligand environment and nuclear spin content on qubit decoherence.

Main Methods:

  • Synthesized a series of vanadium-based transition metal complexes: (Ph4P)2[V(C8S8)3] (1), (Ph4P)2[V(β-C3S5)3] (2), (Ph4P)2[V(α-C3S5)3] (3), and (Ph4P)2[V(C3S4O)3] (4).
  • Measured coherence times (T 2) using pulsed techniques at 80 K in various solvent environments.
  • Employed electrochemical and continuous wave electron paramagnetic resonance (EPR) to analyze electronic properties.
  • Investigated the effect of nuclear spin content by synthesizing a deuterated complex (d 20-Ph4P)2[V(C8S8)3] (1').

Main Results:

  • Achieved T 2 values of 1-4 μs at 80 K for complexes 1-4.
  • Realized a T 2 of approximately 1 ms for complex 1' in CS2 by minimizing nuclear spin interactions.
  • This 1 ms T 2 surpasses previous coordination complex records and rivals some solid-state qubits.
  • Electrochemical and EPR data showed ligand electronic variations, but pulsed measurements identified solvent nuclear spins as the primary decoherence source.

Conclusions:

  • Demonstrated that molecular design can significantly enhance qubit coherence times.
  • Identified nuclear spins in the solvent as the main factor limiting T 2 in current systems.
  • Proposed a design strategy combining CS2 solubility with nuclear spin-free ligand fields for next-generation molecular qubits.