What are the coupling constants (J)?
1 Answer
The coupling constant
For example:
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Peak Data:
"Hz"" "" " "" " ppm"" ""Intensity" Proton A:
"371.56"" ""4.149"" ""24"
"365.38"" ""4.080"" ""56"
"359.25"" ""4.012"" ""72"
"353.13"" ""3.943"" ""60"
"347.06"" ""3.876"" ""28" Proton B:
"193.00"" ""2.155"" ""335" Proton C:
"110.44"" ""1.234"" ""1000"
"108.19"" ""1.209"" ""27"
"104.31"" ""1.165"" ""939"
"102.06"" ""1.140"" ""25"
What is shown here for proton A is that
1
-> 1-1-> 1-2-1-> 1-3-3-1-> 1-4-6-4-1
It is not visible in this zoom, but the distance between each peak is roughly identical. This distance is the numerical equivalent of the coupling constant
4.149 - 4.080 = "0.069 ppm"
4.080 - 4.012 = "0.068 ppm"
4.012 - 3.943 = "0.069 ppm"
3.943 - 3.876 = "0.067 ppm"
Interestingly enough, if you look at protons C at the averaged
1.234 - 1.165 = "0.068 ppm"
From the identical (or nearly-identical) coupling constant, you can determine which protons are "communicating" with each other and thus which protons they neighbor.
If you take this number and multiply it by the
"0.068 ppm" * "89.56 MHz"
= 0.068 ("Hz")/("MHz") * "89.56 MHz"
= color(blue)"6.09 Hz"
Indeed, for proton C,
Therefore, without seeing the structure of the analyzed molecule, you can still figure out that proton A and protons C are coupling/"communicating" with each other.