Quantitative determination of interproton distances for diamagnetic molecules in solution via the measurement of selective proton spin–lattice relaxation rates

Abstract

A combination of non-selective, single-selective, double-selective, and triple-selective pulse experiments has been used to determine the magnitude of specific dipole–dipole, interproton spin–lattice relaxation contributions for 1,2,3,4,7,7-hexachloro-6-exo-benzoyloxybicyclo[2.2.1]hept-2-ene and provides a direct measure for the interproton distances, in excellent agreement with estimates based on Dreiding molecular models and computer simulation; the quality control experiments necessary for quantitative conformational studies are illustrated.