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Related Concept Videos

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

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

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 involved orbitals. The...
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

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,...
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

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 have a...

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Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions
11:44

Mizoroki-Heck Cross-coupling Reactions Catalyzed by Dichloro{bis[1,1',1''-(phosphinetriyl)tripiperidine]}palladium Under Mild Reaction Conditions

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Long-range spin coupling: a tetraphosphine-bridged palladium dimer.

Kuppuswamy Arumugam1, Mohammed C Shaw, Joel T Mague

  • 1Department of Chemistry, Tulane University, New Orleans, Louisiana 70118-5698, USA.

Inorganic Chemistry
|March 9, 2011
PubMed
Summary
This summary is machine-generated.

A new dipalladium compound, [{(adt)Pd}(2)(μ-tpbz)], was synthesized and characterized. Its electronic properties reveal a diradical dication with a near-degenerate singlet-triplet ground state, useful for molecular devices.

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Experimental Approaches for the Synthesis of Low-Valent Metal-Organic Frameworks from Multitopic Phosphine Linkers
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Experimental Approaches for the Synthesis of Low-Valent Metal-Organic Frameworks from Multitopic Phosphine Linkers

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Area of Science:

  • Inorganic Chemistry
  • Materials Science
  • Supramolecular Chemistry

Background:

  • The synthesis and characterization of novel metal-organic compounds are crucial for developing advanced materials.
  • Understanding the electronic interactions and magnetic properties of polynuclear metal complexes is key to designing molecular devices.

Purpose of the Study:

  • To synthesize and characterize a novel dipalladium compound, [{(adt)Pd}(2)(μ-tpbz)] (1).
  • To investigate the electronic structure and magnetic properties of the dicationic form of compound 1, [1](2+).
  • To explore the potential of the bridging ligand (tpbz) in mediating spin interactions for molecular electronics.

Main Methods:

  • Synthesis of the dipalladium compound via transmetalation.
  • Electrochemical analysis using cyclic voltammetry (CV).
  • Spectroscopic characterization including UV-vis and electron paramagnetic resonance (EPR).
  • Computational modeling using density functional theory (DFT).

Main Results:

  • Compound 1 was successfully synthesized and characterized.
  • Cyclic voltammetry revealed reversible oxidation waves, indicating simultaneous one-electron oxidations at each palladium-dithiolene fragment.
  • DFT calculations and spectroelectrochemistry confirmed the redox-active molecular orbital composition.
  • [1](2+) was identified as a diradical with a near-degenerate singlet-triplet ground state, validated by EPR spectroscopy.
  • Zero-field splitting parameters were accurately reproduced using a multipoint dipole model, revealing an interspin distance of 12.434 Å.

Conclusions:

  • The bridging ligand (tpbz) effectively mediates weak spin interactions between the two palladium centers.
  • The synthesized compound and its dication exhibit unique electronic and magnetic properties suitable for molecular-based electronic and magnetic devices.
  • The study provides a framework for designing extended systems with tailored properties by incorporating the bridging ligand.