Mixed Halide Isothiocyanate Tin(II) Compounds, SnHal(NCS): Signs of Tetrel Bonds as Bifurcated Extensions of Long-Range Asymmetric 3c-4e Bonds
Hans Reuter
TL;DR
This paper studies the crystal structures of tin(II) compounds with mixed halide isothiocyanates and identifies new bonding patterns involving tetrel bonds.
Contribution
The paper introduces new structure types and identifies bifurcated tetrel bonds as extensions of 3c-4e bonding in tin(II) compounds.
Findings
Three isostructural compounds of a new structure type were identified for SnClF, SnBrF, and SnIF.
Bifurcated tetrel bonds were observed as electron-deficient extensions of 3c-4e bonding.
Coordination polymers in the first coordination spheres form one-dimensional chain structures.
Abstract
As part of a systematic study on the structures of the mixed halide isothiocyanates, SnIIHal(NCS), their single crystals were grown and structurally characterized. For Hal = F (1), the SnClF structure type was confirmed, while with Hal = Cl (2), Br (3), and I (4), there are three isostructural compounds of a new structure type, and for Hal = Cl (5), there is a second modification of a third structure type. These structure types have been described with respect to the composition and coordination geometry of the first, second, and van der Waals crust coordination spheres and their dependence on the halogen size and thiocyanate binding modes. With respect to the first coordination spheres, all three structure types constitute one-dimensional coordination polymers. In 1, “ladder”-type double chains result from μ3-bridging fluorine atoms, and in 2–4, single-chains built up from μ2-halogen…
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Taxonomy
TopicsCrystallography and molecular interactions · Chemical Thermodynamics and Molecular Structure · Organometallic Compounds Synthesis and Characterization