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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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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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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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In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
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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-reorientation transition in CeMnAsO.

Alex J Corkett1, David G Free, Simon J Clarke

  • 1Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford , South Parks Road, Oxford OX1 3QR, U.K.

Inorganic Chemistry
|December 4, 2014
PubMed
Summary

The spin-reorientation transition in cerium manganese arsenide (CeMnAsO) involves manganese (Mn) moments reorienting below 38 K, coinciding with cerium (Ce) moment ordering. This magnetic behavior differs from related compounds.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Magnetism

Background:

  • Layered oxide pnictides exhibit complex magnetic ordering.
  • Spin-reorientation transitions are crucial for understanding magnetic materials.

Purpose of the Study:

  • To investigate the spin-reorientation transition in CeMnAsO using high-resolution diffraction.
  • To elucidate the magnetic ordering of Mn(2+) and Ce(3+) moments.

Main Methods:

  • High-resolution X-ray powder diffraction.
  • Neutron powder diffraction.

Main Results:

  • Mn(2+) moments order antiferromagnetically in a checkerboard above 38 K, reorienting into the planes below this temperature.
  • Ce(3+) moments exhibit long-range ordering below 34 K, coincident with Mn reorientation.
  • A slight magnetic and structural cell misfit (0.025%) observed below the transition.

Conclusions:

  • CeMnAsO displays a distinct spin-reorientation mechanism compared to isostructural NdMnAsO and PrMnSbO.
  • No structural distortion occurs, unlike in Pr(3+)-containing compounds.
  • Further investigation using alternative methods is needed to test computational proposals on magnetic structures.