Metal Iodides in Polyiodide Networks -The Structural Chemistry of Complex Gold Iodides with Excess of Iodine
1999 (English)In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 5, no 1, 305-311 p.Article in journal (Refereed) Published
Theoretical calculations that compare the Ij ion and the [AuI4](-) ion show that they are closely related and have potential energy surface (PES) minima corresponding to an L-shaped structure. These calculations also indicate that the I-3(-) and [AuI2](-) ions should be exchangeable. These results were confirmed by the synthesis of the compounds (Et3S)[AuI4]. 2I(2) (1) and (Me3S)(2)[AuI4][I-3] (4), which have been characterised by X-ray diffraction, Raman and far-IR spectroscopy. The structure of 1 is made up of [AuI4](-) units coordinated by infinite zig-zag chains of I, molecules, and can be regarded as [AuI4](-) ions incorporated into a polyiodide network. The structure of 4 is closely related to those of the compounds of the M2Au2X6 family (M = Cs+, Rb+, NH4+, K+; X = Cl-, Br-, I-) which consist of square-planar [AuX4](-) and linear [AuX2](-) ions. However, in the structure of 4, the [AuX2](-) ions are replaced by IS ions.
Place, publisher, year, edition, pages
1999. Vol. 5, no 1, 305-311 p.
ab initio calculations, gold, iodine, quantum-chemical calculations, structure elucidation, vibrational analysis
IdentifiersURN: urn:nbn:se:kth:diva-5103DOI: 10.1002/(SICI)1521-3765(19990104)5:1<305::AID-CHEM305>3.0.CO;2-8ISI: 000078024200031OAI: oai:DiVA.org:kth-5103DiVA: diva2:7868
QC 201010112005-05-152005-05-152010-10-11Bibliographically approved