Solution structure and behaviour of Δ-cis-α-[Ru(R,R-picchxnMe2)(phi)]2+ by NMR spectroscopy and molecular modellingElectronic supplementary information (ESI) available: NMR spectra and selected NMR data. See http://www.rsc.org/suppdata/dt/b2/b208846k/
- 17 December 2002
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Dalton Transactions
- No. 2,p. 165-170
- https://doi.org/10.1039/b208846k
Abstract
The self-association of the DNA metalloprobe Δ-cis-α-[Ru(R,R-picchxnMe2)(phi)]2+ (α-phi) in aqueous solution has been investigated using 1H NMR spectroscopy and molecular modelling. The concentration dependence of proton chemical shifts of the complex gave initial indications of a self-associated species, while its structural isomer Δ-cis-β-[Ru(R,R-picchxnMe2)(phi)]2+ (β-phi) showed no such dependence. 2D-COSY and 2D-ROESY experiments were used for the complete assignment of the proton resonances of both isomers and allowed a qualitative determination of the self-association of the α isomer through the detection of intermolecular ROEs. NMR spectroscopy can also be effectively used to differentiate Δ- and Λ-diastereomers. In addition, we show, by pulsed field gradient longitudinal eddy-current delay (PFGLED) NMR spectroscopy, that α-phi self-associates at higher concentrations with an effective molecular weight at 25 mM three times that at 2.5 mM. This apparent oligomerisation was not observed for the β-isomer.Keywords
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