Manchester NMR Methodology Group

Summary:
Pure Shift NMR Spectroscopy suppresses the effects of homonuclear coupling, allowing ¹H spectra to be produced that contain chemical shift only, with no multiplet structure, a major improvement in resolution.

Downloads:

Varian / Agilent
Pulse Sequence and Macro package:
push1dzs zip or tar (right click and chose 'save ... as')

Bruker
Pulse sequence:
push1dzs (right click and chose 'save ... as')
push1dzs for Topspin 1.3 (right click and chose 'save ... as')
Reconstruction Program:
Should be saved in "C:\Bruker\TopSpin3.2\exp\stan\nmr\au\src\user" or the equivalent on your system.
For Topspin 2 and Topspin 3: pshift (right click and chose 'save ... as')
For Topspin 1.3 1D processing only: pshift_TS1.3 (right click and chose 'save ... as')

Instructions, Pulse Sequence, Macro and Example Data:
zip or tar.
First increment 1D version for use with popt to calibrate slice selection gradient:
push1dzs_Gsetup (right click and chose 'save ... as')

Pulse Sequence Diagram:

Screen capture of the output from Bruker's nmrsim.mod for push1dzs.

References:
Aguilar, JA, Faulkner S, Nilsson M, Morris GA. 2010. Pure Shift 1H NMR: A Resolution of the Resolution Problem? Angewandte Chemie International Edition. 49:3901–3903

Morris, GA, Aguilar JA, Evans R, Haiber S, Nilsson M. 2010. True Chemical Shift Correlation Maps: A TOCSY Experiment with Pure Shifts in Both Dimensions. Journal of the American Chemical Society. 132(37):12770-12772.

Nilsson, M, Morris GA. 2007. Pure shift proton DOSY: diffusion-ordered 1H spectra without multiplet structure. Chemical Communications. (9):933-935.

Please note that copyright restrictions prevent us from placing the pdf files on our website, however, in most cases we are allowed to distribute these via email so contact us if you need a copy.