F-19 homonuclear dipolar recoupling methods were used to measure internucle
ar distances ranging from 5 to 12 Angstrom in fluorinated organic compounds
in the solid state. Magic-angle-spinning-based high-resolution techniques
were utilized. Trifluoromethyl and aromatic fluorine groups were seperated
by rigid aromatic spacers; these compounds were diluted into nonfluorinated
host molecule matrices to give isolated homonuclear spin pairs with known
internuclear distances. Radiofrequency-driven recoupling (RFDR) was used to
elicit magnetization exchange between the spin pairs in 1D and 2D experime
nts. Simulation of the exchange was accomplished using a Monte Carlo-type a
lgorithm to search the parameter space. These methods allow the determinati
on of distances with an accuracy of 1 Angstrom at shorter distances and 2 A
ngstrom at longer distances, with the assumption of no prior knowledge of T
-2(ZQ). (C) 2001 Academic Press.