Computational aspects of <sup>19</sup>F NMR
Leonid B. Krivdin
Abstract
This review covers most recent advances in computation of 19 F NMR chemical shifts and spin – spin coupling constants involving 19 F nucleus calculated at different levels of theory. It deals mainly with electronic and stereochemical effects influencing these parameters, with a special emphasis on practical applications of such calculations. For 19 F NMR chemical shifts, a good deal of attention is focused on less common solid state studies, in addition to much more popular liquid state data. For spin – spin coupling constants, the main interest is concentrated on the most popular 19 F– 1 H, 19 F– 13 C and 19 F– 19 F couplings providing marked stereochemical behaviour. The bibliography includes 149 references. In memory of Professor Rubén Horacio Contreras, to commemorate his achievements in the field of theoretical and computational 19 F NMR.