I have done two sets of reaction using SM and SM-D and collected the sample at 30 mins interval. Then the proton NMR was recorded. I can see clearly there is difference between reaction rate, however I am getting confused while calculating kH/kD value?
I appreciate your suggestions.
First, obtain two sets of proton NMR spectra of the molecule of interest as you done. The first set should be recorded in a proton solvent, such as CDCl3, while the second set should be recorded in a deuterium solvent, such as DMSO-d6. Next, compare the chemical shifts of the protons in the two sets of spectra. For each proton, the chemical shift will be different in the proton and deuterium solvents due to the difference in solvent polarity. The difference in chemical shift, denoted Δδ, can be calculated for each proton by subtracting the chemical shift in the deuterium solvent from the chemical shift in the proton solvent. Plot the values of Δδ against the reciprocal of the absolute temperature (1/T) for each proton. This plot should give a straight line with a slope equal to the ratio kH/KD. Calculate the slope of the line using linear regression analysis, and this value will give you the kH/KD value for that particular proton
This is the overall work plan or method. Hope you get more assistance here,
https://www.indianchemistry.com/2023/03/how-to-calculate-khkd-value-using.html?m=1
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