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Supramolecular aggregation featuring Hg⋯S secondary-bonding interactions in crystals of mercury(<scp>ii</scp>) species augmented by computational chemistry calculations

Rosa M. Gomila, Antonio Frontera, Edward R. T. Tiekink

2023CrystEngComm15 citationsDOI

Abstract

A CSD survey reveals the presence of Hg⋯S interactions within zero-, one- and two-dimensional aggregation patterns in non-organomercury crystals. Theory confirms the stabilising nature of σ-/π-holes or positive belts formed at the mercury atom.

Topics & Concepts

Mercury (programming language)Supramolecular chemistryOrganomercury CompoundsChemistryOrganomercuryAtom (system on chip)CrystallographyChemical physicsComputational chemistryCrystal structureMetalOrganic chemistryComputer scienceEmbedded systemProgramming languageCrystallography and molecular interactionsSolid-state spectroscopy and crystallography
Supramolecular aggregation featuring Hg⋯S secondary-bonding interactions in crystals of mercury(<scp>ii</scp>) species augmented by computational chemistry calculations | Litcius