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Related Concept Videos

Metal-Semiconductor Junctions01:24

Metal-Semiconductor Junctions

286
The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
Schottky Barriers
Schottky barriers arise when a metal with a work function (Φm) contacts a semiconductor with a different work function (Φs). Initially, electrons transfer until the Fermi levels of the metal and semiconductor align at equilibrium. For instance, if Φm > Φs, the semiconductor Fermi level is higher than the metal's before contact. The...
286
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

951
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...
951
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

1.0K
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.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
1.0K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.2K
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...
1.2K
Valence Bond Theory02:42

Valence Bond Theory

8.4K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.4K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

869
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...
869

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Related Experiment Video

Updated: Jun 2, 2025

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
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All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

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Transition Metal Based Spin-Tuned Charge Transfer in Single-Molecule Junctions.

Xingyuan Cui1, Yiting Shang2, Jingtai Li3

  • 1Key Laboratory of Surface & Interface Science of Polymer Materials of Zhejiang Province, School of Chemistry and Chemical Engineering, Zhejiang Sci-Tech University, Hangzhou, 310018, China.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|January 14, 2025
PubMed
Summary

Researchers explored how metal ions affect molecular conductivity using scanning tunneling microscopy and DFT. Zinc complexes showed increased conductance, while cobalt complexes did not, due to spin-dependent quantum interference.

Keywords:
Molecular electronicsSingle-molecule junctionsSpinconductivitytransition metal

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Area of Science:

  • Molecular electronics
  • Spintronics
  • Quantum transport

Background:

  • Understanding metal coordination's role in molecular conductivity is key for molecular electronics.
  • Spintronics requires precise control over electron spin for advanced devices.

Purpose of the Study:

  • To investigate the impact of different metal ions (Co²⁺ and Zn²⁺) on single-molecule conductance.
  • To correlate metal coordination and spin character with charge transport properties.
  • To explore the design principles for single-complex conductance studies.

Main Methods:

  • Fabrication of bipyridine-based metal complexes with Co²⁺ and Zn²⁺.
  • Measurement of single-molecule conductance using scanning tunneling microscope breaking junctions (STM-BJ).
  • Analysis of charge transport mechanisms using density functional theory (DFT) calculations.

Main Results:

  • Complexes with Zn²⁺ exhibited increased molecular conductance, indicating effective conducting channel formation.
  • Complexes with Co²⁺ showed no significant conductance change due to spin-channel disparities.
  • Destructive quantum interference in the spin-down channel of Co²⁺ complexes counteracted conductance enhancement.

Conclusions:

  • The spin character of metal ions significantly influences single-molecule conductance.
  • DFT calculations successfully explained the observed conductance differences based on spin-dependent quantum interference.
  • This study provides a foundation for designing and fabricating single-complex conductance experiments.