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Closed Access item Solid-State Structures and Solution Studies of Novel Cyclopentadienyl Mercury Compounds

Authors:Grirrane, Abdessamad
Resa, I.
Río, Diego del
Rodríguez, Amor
Álvarez, Eleuterio
Mereiter, Kurt
Carmona Guzmán, Ernesto
Keywords:Mercury cyclopentadienyl complexes, Kcp salts, Electronic structure, X-ray, Solid-state structures
Issue Date:27-Apr-2007
Publisher:American Chemical Society
Citation:Inorganic Chemistry 46(11): 4667-4676 (2007)
Abstract:New mercury cyclopentadienyl complexes Hg(η1-Cp‘)Cl have been prepared by the reaction of HgCl2 and the appropriate KCp‘ salts or by the transmetalation of HgCl2 with ZnCp‘2 (Cp‘ = C5Me4H, 1; C5Me4But, 2; C5Me4SiMe3, 3; C5H4SiMe3, 4). By contrast, only the SiMe3-substituted bis(cyclopentadienyl) derivatives, Hg(C5Me4SiMe3)2 (5) and Hg(C5H4SiMe3)2 (6), can be isolated by the above synthetic procedures and the appropriate ratio of reagents or from HgCp‘Cl and KCp‘. Solution NMR studies reveal nonfluxional behavior of the SiMe3-substituted complexes 3, 5, and 6. X-ray studies of the solid-state structures show that the six compounds contain η1-Cp‘ ligands, with linear or almost linear C−Hg−Cl or C−Hg−C coordination environments. The two HgCp‘2 compounds, 5 and 6, have the expected insular structures, but the HgCp‘Cl derivatives show supramolecular associations by means of weak secondary Hg···Cl interactions. Thus, the HgCp‘Cl compounds 1, 3, and 4 form three different polymeric chain structures with typically two Hg···Cl interactions of 3.04−3.46 Å per mercury. By contrast, 2 forms a tetramer, [Hg(C5Me4SiMe3)Cl]4, with a cubelike arrangement of four Hg and four Cl atoms. Density functional theory has been used to investigate the electronic structure of the compounds.
Description:10 páginas, 9 figuras, 5 tablas, 3 esquemas.
Publisher version (URL):htt://dx.doi.org/10.1021/ic0624672
URI:http://hdl.handle.net/10261/37360
ISSN:0020-1669
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Appears in Collections:(IIQ) Artículos

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