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Issue 27, 2009
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Neutral and cationic main group element cages of germanium(II) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations

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Abstract

Two equivalents of 3,5-bis(trifluoromethyl)pyrazole or 5-methyl-3-(trifluoromethyl)pyrazole react with [Ge{N(SiMe3)2}2] to give dimeric homoleptic germanium(II) compounds [{Ge(3,5-RR′pz)2}2] (R = R′ = CF3 (1); R = Me, R′ = CF3 (2)), which provide cationic triply pz-bridged cages of the general formula [Ge(μ2-3,5-RR′pz)3Ge]+[OTf] (R = R′ = CF3 (3); R = Me, R′ = CF3 (4)) upon treatment with one equivalent of triflic acid (HOTf, HSO3CF3). The compounds were studied using the pulsed field gradient spin-echo (PGSE) NMR technique and 19F,1H-HOESY NMR methods. Single crystal X-ray structure determinations of all compounds are reported. The results obtained are verified by density functional theory calculations.

Graphical abstract: Neutral and cationic main group element cages of germanium(ii) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations

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Publication details

The article was received on 26 Jan 2009, accepted on 01 Apr 2009 and first published on 19 May 2009


Article type: Paper
DOI: 10.1039/B901711A
Citation: Dalton Trans., 2009,0, 5335-5347

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    Neutral and cationic main group element cages of germanium(II) with pyrazolyl ligands: solid state structures, DFT calculations and advanced solution NMR investigations

    I. Krummenacher, I. Fernández, H. Rüegger, F. Weigend and F. Breher, Dalton Trans., 2009, 0, 5335
    DOI: 10.1039/B901711A

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