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Related Concept Videos

Structural Isomerism02:34

Structural Isomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...
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...
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.
Ionic Crystal Structures02:42

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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...
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

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Hyperspectral Imaging as a Tool to Study Optical Anisotropy in Lanthanide-Based Molecular Single Crystals
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Orientational disorder in Lambda-cobalt(III) sepulchrate trinitrate.

Andreas Schönleber1, Sander van Smaalen, Finn Krebs Larsen

  • 1Laboratory of Crystallography, University of Bayreuth, 95440 Bayreuth, Germany. andreas.schoenleber@uni-bayreuth.de

Acta Crystallographica. Section C, Crystal Structure Communications
|April 1, 2010
PubMed
Summary
This summary is machine-generated.

The crystal structure of a cobalt(III) sepulchrate complex with nitrate anions was determined. A new disorder model for the nitrate group significantly improves the crystal structure analysis.

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Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Coordination Chemistry

Background:

  • The study investigates the crystal structure of Lambda-(1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III) trinitrate.
  • This complex features a cobalt(III) cation encapsulated within a macrobicyclic nitrogen cage (sepulchrate moiety).

Purpose of the Study:

  • To elucidate the detailed crystal structure of the cobalt(III) sepulchrate trinitrate complex.
  • To refine the understanding of the nitrate anion disorder within the crystal lattice.

Main Methods:

  • X-ray crystallography was employed to determine the crystal structure.
  • Analysis involved identifying the coordination of the cobalt cation by the sepulchrate ligand and the arrangement of nitrate anions.
  • A novel model was developed to describe the orientational disorder of one nitrate group.

Main Results:

  • The structure consists of a central Co(3+) cation six-coordinated by the sepulchrate ligand, forming a macrobicyclic nitrogen cage.
  • Two nitrate anions are ordered and symmetrically related, forming hydrogen bonds with the Co-sepulchrate group.
  • The third nitrate anion exhibits orientational disorder, described by six equivalent orientations, improving upon previous structural models.

Conclusions:

  • The refined crystal structure provides a more accurate representation of the cobalt(III) sepulchrate trinitrate complex.
  • The developed disorder model enhances the understanding of crystal packing and symmetry in such coordination compounds.
  • This work offers a significant improvement over prior crystal structure determinations for this system.