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Sulfides are the sulfur analog of ethers, just as thiols are the sulfur analog of alcohol. Like ethers, sulfides also consist of two hydrocarbon groups bonded to the central sulfur atom. Depending upon the type of groups present, sulfides can be symmetrical or asymmetrical. Symmetrical sulfides can be prepared via an SN2 reaction between 2 equivalents of an alkyl halide and one equivalent of sodium sulfide.
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Sulfur is a vital element in Earth's biogeochemical systems. It transitions through various inorganic states, including sulfate (SO₄²⁻), elemental sulfur (S⁰), and sulfide (S²⁻). Abiotic and biological mechanisms across oxic and anoxic environments intricately mediate these transformations. Sulfate, the most oxidized form of sulfur, is predominantly stored in rocks, marine sediments, and oceanic waters, acting as a long-term reservoir in the global sulfur...
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On comparing the reactivity of silver and lead, it is observed that the two ionic species, Ag+ (aq) and Pb2+ (aq), show a difference in their redox reactivity towards copper: the silver ion undergoes spontaneous reduction, while the lead ion does not. This relative redox activity can be easily quantified in electrochemical cells by a property called cell potential. This property is commonly known as cell voltage in electrochemistry, and it is a measure of the energy which accompanies the charge...
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Sulfur, an important element in the chemical makeup of proteins, is recycled through the atmosphere and aquatic and terrestrial environments. Found in the atmosphere as sulfur dioxide (SO2), sulfur is released by decaying organisms, weathered rocks, geothermal vents, volcanos, and burning fossil fuels. It is deposited into the ecosystem, cycled through the biotic community, and either released back into the atmosphere as gas or deposited in marine sediment for long-term storage and eventual...
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Thiols are prepared using the hydrosulfide anion as a nucleophile in a nucleophilic substitution reaction with alkyl halides. For instance, bromobutane reacts with sodium hydrosulfide to give butanethiol.
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Hydrogen Charging of Aluminum using Friction in Water
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Hydrogen evolution from water through metal sulfide reactions.

Arjun Saha1, Krishnan Raghavachari

  • 1Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA.

The Journal of Chemical Physics
|December 3, 2013
PubMed
Summary

Computational studies reveal transition metal sulfide clusters react with water to produce hydrogen. Molybdenum sulfides exhibit higher reaction barriers than tungsten analogues, with M2S4(-) and M2S5(-) clusters being exothermic pathways.

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Area of Science:

  • Computational chemistry
  • Catalysis
  • Materials science

Background:

  • Transition metal sulfides are crucial catalysts in various chemical reactions.
  • Understanding their reactivity with water is key for hydrogen evolution applications.
  • Previous studies often focused on oxides, leaving sulfides less explored.

Purpose of the Study:

  • To computationally investigate the structures, electronic states, and reactivity of M2S(X)(-) cluster anions (M = Mo, W; X = 4-6) with water.
  • To elucidate reaction pathways for hydrogen evolution.
  • To compare the catalytic activity of molybdenum and tungsten sulfide clusters.

Main Methods:

  • Density functional theory (DFT) calculations were employed.
  • Detailed structural analysis of ground state isomers was performed.
  • Potential energy surfaces were explored to identify reaction pathways and barriers.

Main Results:

  • Metal sulfide anions exhibit unique structures with bridging sulfide bonds, differing from oxides.
  • Energetically favorable pathways for hydrogen evolution were identified, involving initial water addition and hydrogen migration.
  • Molybdenum sulfide reactions show higher energy barriers than tungsten analogues; M2S4(-) and M2S5(-) reactions are exothermic with modest barriers, while M2S6(-) is endothermic.

Conclusions:

  • The reactivity of M2S(X)(-) clusters with water is highly dependent on the metal (Mo vs. W) and the number of sulfur atoms.
  • Selectivity in water addition and hydrogen migration are critical for H2 evolution.
  • M2S4(-) and M2S5(-) clusters show promising catalytic potential for hydrogen production.