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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

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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...
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Colors and Magnetism03:02

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Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
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Crystal Field Theory - Octahedral Complexes02:58

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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
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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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Properties of Transition Metals02:58

Properties of Transition Metals

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Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
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NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

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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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Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing
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Enhanced spin-phonon-electronic coupling in a 5d oxide.

S Calder1, J H Lee2,3, M B Stone1

  • 1Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

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|November 27, 2015
PubMed
Summary
This summary is machine-generated.

Researchers discovered a strong coupling between magnetism and lattice vibrations in the 5d perovskite NaOsO3. This spin-phonon coupling, the largest observed, offers new pathways for designing advanced multifunctional devices using 5d materials.

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Solid-State Chemistry

Background:

  • Enhanced coupling of material properties leads to novel insights and multifunctional devices.
  • 5d oxides exhibit cooperative interactions driving emergent behavior, such as metal-insulator transitions in osmates.
  • Magnetism and electronic transitions are often intertwined in these materials.

Purpose of the Study:

  • To investigate the coupling between spin and phonon in the 5d perovskite NaOsO3.
  • To identify the microscopic mechanisms driving phonon renormalization in this material.
  • To understand the role of 5d elements in mediating such couplings.

Main Methods:

  • Experimental observation of spin-phonon coupling via frequency shifts.
  • Analysis of phonon modes involving Os-O interactions.
  • Theoretical identification of magnetism as the driving mechanism.

Main Results:

  • A significant spin-phonon coupling was observed in NaOsO3, with a frequency shift of 40 cm⁻¹.
  • The anomalous phonon modes exclusively involve Os-O interactions.
  • Magnetism was identified as the microscopic driver for the observed phonon renormalization.

Conclusions:

  • The large spatial extent of 5d ions in NaOsO3 facilitates unprecedented spin-phonon coupling.
  • Magnetism plays a crucial role in the phonon renormalization in 5d perovskites.
  • This finding opens new avenues for developing enhanced coupled phenomena in 5d materials for device applications.