How to perform and interpret LINE SHAPE ANALYSIS in NMR to obtain rate constant o a dynamic process.
Dear Mr. Santra.
Please see attached file.
Best regards,
Gustavo.
If you use Topspin for data analysis just type dnmr. That starts the lineshape analysis tool. The manual that comes with it gives you detailed instructions how to use it.
Santra!
Look into the Bloch-McConnell Formalism. It is well documented in the literature. It is based on the Bloch Equations modified for chemical exchange. The easiest case is two site exchange. The great thing about the Bloch-McConnell Formalism is that it can be used for fast and slow exchange. The down side is that it is a numerical method. There are analytic solutions for the fast exchange two site case, as you probably already know. If you like to write your own code, the BMF is very amenable to this.
Hope this gets you started!
Ciao,
Dennis
One of my NMR spectra in which signal due to one proton is splitted into 2-4 peaks presumably for rotamer formation.
Can I able to calculate the rate of inter conversion between those rotamers via line shape analysis?
Try this https://www.staff.ncl.ac.uk/bruce.tattershall/software/dnmr3/
can we able to determine the dynamic process by monitoring the highlighted peak areas by line shape analysis or any other NMR tools?
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