ware. Next carry ou t Hartree-Fock 3-610 calculations on (3) to obtain its Eg. R

Question

ware. Next carry ou t Hartree-Fock 3-610 calculations on (3) to obtain its Eg. Record the requested E in Table 1 below. A review of Instructions for model building and data acquisition will be d Repeat step 2 to obtain Eg for the transition state leading to 2-methyl-1- butene; record Eq in Table 1 . Repeat step 2 to obtain Eg for 2-methyl-2-butene. , Repeat step 2 to obtain Eg for the transition state leading to 2-methyl-2- butene; record Eq in Table 1 E g (au) 1 utene- TSfor 2-methyl-1. butene , i value ( L-a7hur71030an Ts for 2-methy!-2- butene, ivalue 27983au 6. (a) Which alkene is more stable and by how much in kJ/mol? 1au 2625.5 ku/mol (Show calculations here.) b) Account for the difference in stability between the two alkenes. 7. (a) Which transition state is more stable and by how much in kJ/mol? (Show calculations here.) (b) Account for the difference in stability between the two transition states. 8. Determine the relative amounts (%) of each alkene in the reaction mixture if the reaction ls under thermodynamic control [ (more stable alkene/less stable alkene)s e2 9. Determine the relative amount (%) of each alkene in the reaction mixture if the reaction is under kinetic control. [(more stable TS/less stable TS)- en 10. Based on the results of the GC analysis of your product misture, is the reaction under thermodynamic control or kinetic control? Explain

Explanation / Answer

ware. Next carry ou t Hartree-Fock 3-610 calculations on (3) to obtain its Eg. R

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