Structure-directing influence of halide in mercury thiolate clusters

Mohan S. Bharara, Thanhhoa H. Bui, Sean Parkin, David A. Atwood

Research output: Contribution to journalArticlepeer-review

32 Scopus citations


Under identical conditions, the reaction of 2-aminoethanethiol hydrochloride with HgX2 (X = Cl and Br) in water yielded discrete hexanuclear [Hg6Cl8(SCH2CH2NH 3)8)]Cl4·4H2O (1) and nonanuclear [Hg9Br15(SCH2CH2NH 3)9](Cl0.8-Br0.2)3 (2) complexes with unusual coordination environments. Compound 1 crystallizes as triclinic with a = 9.434-(2) Å, b = 10.999(2) Å, c = 13.675(7) Å, α = 92.9(7)°, β = 105.2(7)°, and γ = 96.9(7)°, whereas 2 is monoclinic with a = 14.162(3) Å, b = 8.009(16) Å, c = 19.604(4) Å, α = γ = 90.0°, and β = 92.7(3)°. In both cases, it is observed that the halide creates the secondary structure around trinuclear units (dimer in 1 and trimer in 2) through Hg-X bonding. Two independent types of Hg atoms (four- and five-coordinate in 1) and (three- and four-coordinate in 2) are observed. The geometry around Hg is quite variable with bridging thiolate and both bridging and terminal halides. The angles around Hg associated with the S atoms are more obtuse than expected from mercury(II) thiolates with a coordination number of more than 2. Intermolecular hydrogen bonding involving NH3+, water molecules, and the halide atoms is responsible for the three-dimensional network in both compounds. Relatively short Hg⋯Hg interactions in 1 (3.797 and 3.776 Å) and in 2 (3.605 and 3.750 Å) are also observed. The compounds have been characterized with the help of 1H and 13C NMR, UV-Vis, infrared, Raman, and mass spectrometry, thermogravimetric analysis, and single X-ray crystallography.

Original languageEnglish
Pages (from-to)5753-5760
Number of pages8
JournalInorganic Chemistry
Issue number16
StatePublished - Aug 8 2005

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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