Using signal amplification by reversible exchange (SABRE) to hyperpolarise 119Sn and 29Si NMR nuclei

Alexandra M. Olaru, Alister Burt, Peter J. Rayner, Sam J. Hart, Adrian C. Whitwood, Gary G R Green, Simon B. Duckett*

*Corresponding author for this work

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The hyperpolarisation of the 119Sn and 29Si nuclei in 5-(tributylstannyl)pyrimidine (ASn) and 5-(trimethylsilyl)pyrimidine (BSi) is achieved through their reaction with [IrCl(COD)(IMes)] (1a) or [IrCl(COD)(SIMes)] (1b) and parahydrogen via the SABRE process. 1a exhibits superior activity in both cases. The two inequivalent pyrimidine proton environments of ASn readily yielded signal enhancements totalling ∼2300-fold in its 1H NMR spectrum at a field strength of 9.4 T, with the corresponding 119Sn signal being 700 times stronger than normal. In contrast, BSi produced analogous 1H signal gains of ∼2400-fold and a 29Si signal that could be detected with a signal to noise ratio of 200 in a single scan. These sensitivity improvements allow NMR detection within seconds using micromole amounts of substrate and illustrate the analytical potential of this approach for high-sensitivity screening. Furthermore, after extended reaction times, a series of novel iridium trimers of general form [Ir(H)2Cl(NHC)(μ-pyrimidine-κN:κN′)]3 precipitate from these solutions whose identity was confirmed crystallographically for BSi.

Original languageEnglish
Pages (from-to)14482-14485
Number of pages4
JournalChemical Communications
Issue number100
Early online date23 Nov 2016
Publication statusPublished - 13 Dec 2016

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