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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

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...
Valence Bond Theory02:45

Valence Bond Theory

Overview of Valence Bond Theory
Colors and Magnetism03:02

Colors and Magnetism

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 eye.
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,...
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...
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...

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Spin Saturation Transfer Difference NMR (SSTD NMR): A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes
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Spin Saturation Transfer Difference NMR (SSTD NMR): A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes

Published on: November 12, 2016

Spin crossover in a four-coordinate iron(II) complex.

Jeremiah J Scepaniak1, T David Harris, Carola S Vogel

  • 1Department of Chemistry and Biochemistry, New Mexico State University, Las Cruces, New Mexico 88003, United States.

Journal of the American Chemical Society
|March 4, 2011
PubMed
Summary
This summary is machine-generated.

This study details a spin transition in an iron(II) complex, shifting from low (S=0) to high (S=2) spin states at 81 K. Structural changes observed include altered iron-ligand bond lengths, explained by electronic structure theory.

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Area of Science:

  • Inorganic chemistry
  • Materials science
  • Solid-state physics

Background:

  • Spin transition phenomena in iron complexes are crucial for developing molecular switches and sensors.
  • Understanding the relationship between electronic structure and magnetic properties is key to designing functional materials.

Purpose of the Study:

  • To investigate the spin transition of a four-coordinate iron(II) phosphoraniminato complex.
  • To correlate structural and electronic changes with the observed spin transition.

Main Methods:

  • Variable-temperature magnetic measurements to determine the transition temperature.
  • Mössbauer spectroscopy to confirm the spin states.
  • Variable-temperature single-crystal X-ray diffraction to analyze structural changes.

Main Results:

  • The iron(II) complex PhB(MesIm)(3)Fe-N═PPh(3) exhibits a spin transition from S=0 to S=2 at a critical temperature (T(C)) of 81 K.
  • Structural analysis reveals an increase in Fe-C and Fe-N bond distances and a decrease in the N-P bond distance during the transition.
  • Electronic structure theory provides an interpretation for the observed structural and magnetic behavior.

Conclusions:

  • The study successfully characterized a spin transition in a novel iron(II) complex.
  • The findings highlight the interplay between electronic configuration, molecular structure, and magnetic properties in coordination complexes.
  • This research contributes to the fundamental understanding of spin crossover materials.