Using fluorocarbons to study carbanions

CHED 503

Pasquale Iacono, piacono1@ithaca.edu and Heinz Koch, hkoch@ithaca.edu. Department of Chemistry, Ithaca College, 1342 Farm to Market Road, Endwell, NY 13760
The literature about carbanions makes use of carbonyl or nitro compounds with charge on hetero atoms due to pi-delocalization of the electrons. Carbanions with a beta-chlorine could stabilize the negative charge but are unstable and eliminate chloride ion with such ease that they are said to undergo concerted eliminations. A beta-F acts as the beta-Cl with “glue” to keep it in place, and allows the study of carbanions stabilized by halogens instead of pi-delocalization. Carbon-fluorine bonds also have different bond strengths depending on the environment and results in fluoride ions with different leaving abilities from -CH2F, -CHF2, -CF2CF3 or -CF3. CF3CHCl2 and C6H5CHClCF3 have similar gas phase acidities; however, their kinetic acidities measured by methanolic methoxide hydron-exchange kinetics differ by over 45,000. The {CF2CCl2}- is a localized carbanion with 45% of the charge on the negative carbon. Although {C6H5CClCF3}- is pi-delocalized, Gaussian calculations have 37% of the charge on the benzylic carbon. It is apparently not the amount of charge on the carbon, but whether the charge is in a localized or delocalized orbital. There is also a difference for the exchange reactions of 9-phenylfluorene compared to C6H5CH(CF3)2 or C6F5H when carried out in methanolic sodium methoxide.