Hexa-kis-(dimethyl sulfoxide-κO)zinc(II) poly-iodide

Area of Science:

• Coordination Chemistry
• Supramolecular Chemistry
• Materials Science

Background:

• The synthesis and structural characterization of novel coordination polymers are crucial for developing advanced materials.
• Understanding the self-assembly mechanisms in metal-organic compounds provides insights into crystal engineering.
• Polyiodide anions offer unique structural motifs and reactivity in supramolecular chemistry.

Purpose of the Study:

• To synthesize and elucidate the crystal structure of the title compound, [Zn{(CH3)2SO}6]I4.
• To investigate the supramolecular architecture and bonding interactions within the compound.
• To characterize the coordination environment of the zinc(II) ion and the structure of the polyiodide anion.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Infrared spectroscopy was used to confirm the presence of the dimethyl sulfoxide ligand.
• Analysis of bond lengths and angles provided details on coordination geometry and hydrogen bonding.

Main Results:

• The title compound crystallizes as a one-dimensional supramolecular polymer along a threefold rotation axis.
• Discrete [Zn{(CH3)2SO}6](2+) cations are linked to linear I4(2-) polyiodide anions via non-classical C-H⋯I hydrogen bonds.
• The zinc(II) ion exhibits octahedral coordination with equivalent Zn-O bond lengths (2.111(4) Å).
• The polyiodide anion consists of a neutral I2 molecule weakly coordinated to two iodide ions.

Conclusions:

• The study successfully characterized a novel 1D coordination polymer with a unique supramolecular structure.
• The hydrogen bonding interactions play a significant role in assembling the 1D polymer.
• The findings contribute to the understanding of metal-ligand interactions and polyiodide chemistry in the solid state.