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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)

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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.
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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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,...
1.4K
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

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

1.4K
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...
1.4K
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

1.4K
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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¹H NMR: Pople Notation01:09

¹H NMR: Pople Notation

2.5K
The Pople nomenclature system classifies spin systems based on the difference between their chemical shifts. Coupled spins are denoted by capital letters with subscripts indicating the number of equivalent nuclei. When the coupled nuclei have well-separated chemical shifts, they are assigned letters that are far apart in the alphabet, such as A and X. When the difference in chemical shifts is small, coupled nuclei are named using adjacent letters of the alphabet (AB, MN, or XY).
A proton...
2.5K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

2.9K
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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Amine-Functionalized Spin Crossover Building Blocks.

Henrik Flötotto1, Tim Secker1, Paul Kögerler1

  • 1Institut für Anorganische Chemie RWTH Aachen University 52074 Aachen Germany.

European Journal of Inorganic Chemistry
|January 3, 2020
PubMed
Summary
This summary is machine-generated.

Researchers developed a functionalizable iron complex for spin crossover applications. This amine-functionalized building block allows covalent modifications, enabling fine-tuning of spin crossover properties for sensors and data storage.

Keywords:
AminesIronMagnetic propertiesScorpionate ligandsSpin crossover

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Area of Science:

  • Materials Science
  • Inorganic Chemistry
  • Supramolecular Chemistry

Background:

  • Bistable spin crossover (SCO) complexes, like [Fe{HB(pz)3}2], are promising for advanced applications.
  • Integration into functional environments is key to realizing the potential of SCO materials.

Purpose of the Study:

  • To develop a versatile building block for covalent post-functionalization of SCO complexes.
  • To enable symmetric and asymmetric functionalization patterns for tailored SCO properties.

Main Methods:

  • Synthesis of an amine-functionalized SCO complex, [Fe{HB(4-NH2pz)(pz)2}2], via reduction of its nitro precursor.
  • Chemical transformation of the amine group into amide, imine, and azo derivatives.
  • Structural and magnetic characterization of the modified complexes.

Main Results:

  • Successfully created a series of functionalized tris(pyrazolyl)borate iron complexes.
  • All derivatives retained SCO properties, with transition temperatures between 350-430 K.
  • SCO transition parameters were correlated with the electronic nature of the functional groups.

Conclusions:

  • The amine-functionalized complex serves as a versatile building block for SCO materials.
  • Covalent post-functionalization allows fine-tuning of SCO properties.
  • This approach facilitates the integration of SCO complexes into desired functional environments.