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Updated: Nov 18, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Sulfur Tetrahydride and Allied Superhydride Clusters: When Resonance Takes Precedence
1Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin-Madison, Madison, WI, 53706, USA.
Abstract:
Sulfur offers a variety of bonding surprises compared to the parent oxygen atom of the chalcogen family. In the present work, we employ standard quantum chemistry methods to characterize formation of previously unrecognized sulfur tetrahydride (C4v -symmetric SH4 ) from hydrogen sulfide (H2 S) and molecular hydrogen (H2 ) on the ground state potential energy surface. The unusual intramolecular interactions of SH4 defy Lewis-like bonding conceptions, exhibiting the dominance of resonance-type donor-acceptor delocalizations well beyond those of SF4 (C2v sawhorse geometry) and other known tetrahalides. The distressed character of SH4 bonding also leads to exotic intermolecular structural motifs in clusters of pure (SH4 )n and mixed (SH4 ⋅⋅⋅H2 S)n composition. We evaluate structural, spectroscopic, and electronic properties for various 2D/3D coordination patterns and discuss how (SH4 ⋅⋅⋅H2 S)n -type building blocks may relate to recent experimental studies of superconductivity in high-pressure materials of "SH3 " stoichiometry.
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