The vibrational spectra of some 2-mercaptopyrimidine complexes of mercury(II)

✍ Scribed by J.Guillermo Contreras; Gloria V. Seguel; Joel B. Alderete

• Publisher: Elsevier Science
• Year: 1994
• Tongue: English
• Weight: 310 KB
• Volume: 50
• Category: Article
• ISSN: 1386-1425
• DOI: 10.1016/0584-8539(94)80067-7

✦ Synopsis

Ahstract-The

IR and Raman spectra of a series of complexes of the type HgXr(ZMP), where X = Cl, Br or I and 2MP = 2-mercaptopyrimidine, have been obtained in the solid state. The spectra show that ah three species possess a trans dimeric halogen-bridged structure of C, molecular symmetry and that the organic ligand is bonded to mercury by its exocyclic sulfur atom.

The above conclusion is also supported by an SCF-MO-MNDO calculation on the HgIr(2MP) dimer, which shows that the truns structure is ca 100 kcal/mol more stable than any other intermediate possible structure.