At 10:21 16/09/2007, Jean-Claude Bradley wrote: >The issue of shift prediction in different solvent environments >could be very useful. In monitoring reactions by H NMR we have >observed significant reproducible shifts over the course of a >reaction, presumably because of a change in the composition of the solution.
Very exciting. Too much for what Nick is doing. This is only possible in Open Notebook because most people won't publish intermediate spectra. But do you know what the composition is? Is it because - say - water is emitted from the reaction or because a new co-solvent is added? P. Peter Murray-Rust Unilever Centre for Molecular Sciences Informatics University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK +44-1223-763069 ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
