Results of Reaction Modeling

A change in the cation class to ammonium [RRRN] or pyrrolidinium [RRPyr] based ILs does not lead to a decline of the prediction quality. A change of the anion class results in a slight shift of the prediction. While the values for triflate [OTf and tetrafluoroborate [BF4] still fit the trend of [NTf2]-IL, the absolute deviation is increasing for the sulfate anion [RS04] . However, the trend can be predicted for sulfate ILs as well. 

The figure shows an increase in reaction speed for an increase in alkyl chain length. With the derived model, all SILP catalyst systems can be calculated with one set of kinetic data. Table 9.1 summarizes these parameters. The partial orders of the reaction and the activation energy yield constant values for all ILs. 

A similar behavior is expected for the second substrate hydrogen. However, no reliable solubility data is available. 

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