Formation Grignard reagent calculations

TABLE 5. Enthalpies of reaction between ketones and Grignard reagents and calculated enthalpies of formation of alkoxymagnesium bromides (kJ mol )... 

To calculate the product distribution for Grignard reagent formation from 5-hexenyl bromide. Garst et al. [93b,c] used the following equations and compared the results with the experimental data of Bodewitz et al. [76] for the reaction of 5-hexenyl bromide with magnesium (see Sec. III.E.2). 

Calculations for Grignard reagent formation from 5-hexenyl bromide and product distribution in other solvents such as THF, DBE, DPE, using similar assumptions and neglecting the reactions of radicals with solvents were also compared in each case with the experimental results of Bodewitz et al. [76] to support the argument for the greater predictive competence of the D-model. 

The reactions of Fischer and Schrock carbyne complexes are of interest because they may act as intermediates in chemical synthesis. Typical reactivity of carbyne complexes with nucleophiles (i.e., alkyl lithium reagents and metal(I) alkoxides) are consistent with the electronics and molecular orbital calculations for these types of complexes [Eq. (9) 22]. The nucleophile adds to the carbyne-carbon, resulting in the formation of a carbene complex. The reaction of a Grignard reagent with a carbyne complex is expected to demonstrate similar reactivity. 

From the data, calculate the equivalents of Grignard reagent formed. Also, as a percentage, determine the amount of Grignard reagent analyzed compared to its theoretical yield of formation. 

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