Coordination of Pyridinethiols in Gold(I) Complexes
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- 作者：Minna T. Rä ; isä ; nen ; Nino Runeberg ; Martti Klinga ; Martin Nieger ; Michael Bolte ; Pekka Pyykkö ; Markku Leskelä ; Timo Repo
- 刊名：Inorganic Chemistry
- 出版年：2007
- 出版时间：November 12, 2007
- 年：2007
- 卷：46
- 期：23
- 页码：9954 - 9960
- 全文大小：222K
- 年卷期：v.46,no.23(November 12, 2007)
- ISSN：1520-510X
文摘
High-yield synthesis of gold(I) thionato complexes, bis(pyridine-2-thionato)gold(I) chloride (1) and bis(pyridine-4-thionato)gold(I) chloride (2), are described. According to their solid-state structures, a linear coordination of Au(I),equiplanar coordination of the ligands and two weak -agostic interactions are found in both of these complexesdespite of different relative positions of N and S atoms in the pyridinethionato ligands. Density functional theorycalculations on 1 and 2 reproduce the observed X-ray structures. Even though the C-H···Au interactions of Au(I)and two pyridine moieties (2.83 and 2.88 Å in 1 and 2.86 Å in 2) are relatively weak, according to calculations theyseem to provide further stabilization for the coordination and orientation of the ligands. In 1 the shortest Au···Audistances of 3.50 Å indicate that aurophilic interactions, even though weak, are present in the solid state, whereasin 2 these interactions are absent.