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the spin-themselfs: autorelaxation, or in other words, decay with the T1-type (R1-type) relaxation time (rate).
Rii = ρi = b2/dij6 (J(0) + 3J(ω) + 6J(2ω)) #contribution of one neighbor spin "j" in distance "d".
And the crossrelaxation rate between H-spins "i" and "j" is:
Rij = σij = b2/dij6 (-J(0) + 6J(2ω))
where "b" is the dipol-dipol interaction strength, and "J(ω)" is the spectral density at angular frequency "ω".
The spectral density J is the Fourier transformation of the rotational correlation function, shows the distribution of frequencies of the molecular rotational motion.Formula!!
Task2: Plot the diagonal peak intensities as function of the mixing time:
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For the reference pair of protons. We have now also the reference sigma sigmaRef.
Use the formula
rij = rRef * (sigmaRef/sigmaij)^(1/6). Vogeli 2014, eq. 63b
to calculate the other distances between other atoms (in a separate column).
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