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Related Concept Videos

Metallic Solids02:37

Metallic Solids

Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Structures of Solids02:22

Structures of Solids

Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
Electron Configurations02:46

Electron Configurations

Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p, 4s,...
Naming Enantiomers02:21

Naming Enantiomers

The naming of enantiomers employs the Cahn–Ingold–Prelog rules that involve assigning priorities to different substituent groups at a chiral center. Each enantiomer, being a distinct molecule, is assigned a unique name by the Cahn–Ingold–Prelog (CIP) rules, also called the R–S system. The prefix R- or S- attached to the chiral centers in an enantiomer is dependent on the spatial arrangement of the four substituents on the chiral center. The R–S system essentially comprises three steps:...
Coordination Number and Geometry02:57

Coordination Number and Geometry

For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
Woodward–Hoffmann Selection Rules and Microscopic Reversibility01:34

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...

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Related Experiment Video

Updated: Jun 6, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
10:52

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex

Published on: July 27, 2022

Ordered structures in rhenium binary alloys from first-principles calculations.

Ohad Levy1, Michal Jahnátek, Roman V Chepulskii

  • 1Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA.

Journal of the American Chemical Society
|December 15, 2010
PubMed
Summary
This summary is machine-generated.

Rhenium alloy data is sparse. Comprehensive first-principles calculations predict stable structures in 20 of 28 rhenium transition-metal systems, revealing many unreported compounds and suggesting a need for revised understanding.

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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Solid State Chemistry

Background:

  • Rhenium (Re) is crucial for catalysis and superalloys.
  • Existing experimental and computational data on Re binary alloys are limited.
  • Only a fraction of Re transition-metal systems are well-characterized.

Purpose of the Study:

  • To comprehensively investigate the phase stability of binary Rhenium transition-metal alloys.
  • To predict stable ordered structures using theoretical calculations.
  • To identify potential new compounds and revise current understanding of Re alloy systems.

Main Methods:

  • Utilized high-throughput first-principles calculations.
  • Investigated 28 distinct Rhenium transition-metal binary systems.
  • Compared theoretical predictions with existing experimental data.

Main Results:

  • Predicted stable ordered structures in 20 out of 28 investigated Re systems.
  • Reproduced all known compounds in previously characterized systems.
  • Identified several potentially unreported stable compounds.
  • Identified 8 systems where no stable compounds are predicted to form.

Conclusions:

  • Theoretical predictions reveal a significantly higher number of compound-forming Re alloy systems than previously known.
  • Extensive revision of current understanding of Rhenium alloy phase diagrams is warranted.
  • Combined theoretical and experimental approaches are essential for accurate alloy characterization.