Z. Zolnai et al., FULL MATRIX ANALYSIS OF CROSS-RELAXATION FAILS IN FRACTIONALLY DEUTERATED MOLECULES, Journal of biomolecular NMR, 12(2), 1998, pp. 333-337
We have analyzed cross-relaxation in fractionally deuterated molecules
and showed that the full matrix analysis fails except when the diluti
on is extreme. This is because the isotopic dilution alters the matrix
exponential relationship between the observed spectrum and the cross-
relaxation rate constants sought. Consequently, an average of the spec
tra of various isotopomers differs from the matrix exponential of an a
verage relaxation matrix. We have derived a series expansion that allo
ws the determination of the cross-relaxation rate constants in arbitra
rily deuterated molecules.