SN2 reaction pathway
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Build SiH5 in Gaussview
Change one planar H on Cl and the other to Br
Change the Si atom to a C atom (no valence)
Calculation Opt – Method=Semiempirical, charge=-1
Open the .log file and Use the Redundant Coordinate Editor to: set scan coordinate for C-Br to 6
steps of 0.2 angstroms
6. Use the Redundant Coordinate Editor to: set scan coordinate for C-Cl to 6 steps of- 0.2
angstroms
7. Calculation Scan – Method=semiemprical, charge=1
8. Open LOG file (important) and view Results -> Scan