Issue 2, 2003

Solution structure and behaviour of Δ-cis-α-[Ru(R,R-picchxnMe2)(phi)]2+ by NMR spectroscopy and molecular modelling

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.

Graphical abstract: Solution structure and behaviour of Δ-cis-α-[Ru(R,R-picchxnMe2)(phi)]2+ by NMR spectroscopy and molecular modelling

Supplementary files

Article information

Article type
Paper
Submitted
11 Sep 2002
Accepted
25 Nov 2002
First published
17 Dec 2002

Dalton Trans., 2003, 165-170

Solution structure and behaviour of Δ-cis-α-[Ru(R,R-picchxnMe2)(phi)]2+ by NMR spectroscopy and molecular modelling

E. M. Proudfoot, J. P. Mackay and P. Karuso, Dalton Trans., 2003, 165 DOI: 10.1039/B208846K

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements