Expt4-1310-reportform

Expt4-1310-reportform - Name _ Laboratory Day Mon Tues Wed...

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Name ______________________________ Lab room _________ Locker ________ Laboratory Day Lab Session Lab Section Mon Tues Wed Thurs Fri AM PM B____ Experiment 4 Substitution Reactions 1. Build all of the reactants and products for the two reactions studied in this exercise and perform a “CHEM 1310: Geometry Optimization” for each. Record the heat of formation predicted by the calculation for each species, and use this data to estimate the heat of reaction in each case. Make sure that the charge and multiplicity are set correctly in the calculations section!!! Species Δ H f º (kcal/mol) F CH 3 Br Br CH 3 F C(CH 3 ) 3 Br C(CH 3 ) 3 F Reaction Δ rxn (kcal/mol) F + CH 3 Br b Br + CH 3 F F + C(CH 3 ) 3 Br b Br + C(CH 3 ) 3 F 2. Build the two reaction carbocation reaction intermediates produced in the S N 1 reaction pathway for the two reactions. Perform a “CHEM 1310: Geometry Optimization (Minimum)” for each. Record the heat of formation predicted by the calculation for each species.
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This note was uploaded on 12/19/2011 for the course AP CHEM 1300 taught by Professor James during the Fall '11 term at Manitoba.

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Expt4-1310-reportform - Name _ Laboratory Day Mon Tues Wed...

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