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Related Concept Videos

Radical Substitution: Hydrogenolysis of Alkyl Halides with Tributyltin Hydride01:26

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Radical substitution reactions can be used to remove functional groups from molecules. The hydrogenolysis of alkyl halides is one such reaction, where the weak Sn–H bond in tributyltin hydride reacts with alkyl halides to form alkanes. Here, the reagent Bu3SnH yields tributyltin halide as a byproduct.
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Electrophilic addition of hydrogen halides, HX (X = Cl, Br or I) to alkenes forms alkyl halides as per Markovnikov's rule, where the hydrogen gets added to the less substituted carbon of the double bond. Hydrohalogenation of alkynes takes place in a similar manner, with the first addition of HX forming a vinyl halide and the second giving a geminal dihalide.
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Ternary Gold Hydrides: Routes to Stable and Potentially Superconducting Compounds.

Martin Rahm1, Roald Hoffmann1, N W Ashcroft1

  • 1Department of Chemistry and Chemical Biology and ‡Laboratory of Atomic and Solid State Physics, Cornell University Ithaca, New York 14853, United States.

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|June 20, 2017
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Summary
This summary is machine-generated.

Researchers discovered stable gold hydrides by adding alkali metals, leading to semiconducting and metallic materials. Some compounds exhibit superconductivity under pressure, with potential for ambient superconductivity in alkaline earth substituted materials.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Superconductivity Research

Background:

  • Binary gold hydrides (AuHn) were previously found to be theoretically unstable at pressures below 300 GPa.
  • The search for stable gold-containing compounds requires exploring novel chemical compositions and structures.

Purpose of the Study:

  • To investigate the theoretical stability and properties of novel gold hydride compounds.
  • To explore the potential for superconductivity in these new materials, particularly under ambient conditions.

Main Methods:

  • Computational materials science methods were employed to predict the stability and electronic properties of various gold hydride structures.
  • Density Functional Theory (DFT) calculations were used to analyze bonding, electronic band structures, and phonon properties.
  • Systematic substitution of alkali and alkaline earth metals was explored to tune material properties.

Main Results:

  • Stable alkali gold dihydrides (AAuH2) were predicted, with potassium, rubidium, and cesium compounds showing thermodynamic stability.
  • These stable compounds contain the AuH2- molecular unit and are semiconducting at 1 atm.
  • Under compression, some alkali gold dihydrides form metallic, superconducting AuHAu sheets.
  • Alkaline earth substituted compounds, AE(AuH2)2, with Barium and Strontium are marginally metallic at 1 atm.
  • These alkaline earth compounds exhibit high superconducting transition temperatures due to favorable electron-phonon coupling.

Conclusions:

  • Introducing alkali metals as reductants stabilizes gold hydrides, overcoming previous theoretical limitations.
  • Novel semiconducting and metallic gold hydride materials have been identified, with potential for superconductivity.
  • Alkaline earth substitution offers a promising route to achieving ambient or near-ambient superconductivity in gold-based materials.