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Although the reaction of F- with CH3Cl
is not formally a Walden inversion in that the molecule is not optically active,
it does illustrate the reaction path involved. The reaction barrier starts with the activated complex, F- + CH3Cl, and goes uphill to the transition state, then descends to the lower minimum of the activated complex of Cl- + CH3F. |
Data set used by MOPAC:
charge=-1 irc=1* cycles=2000 X-priority=0.01 gnorm=0.0 Sn2 b C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0218 H 1.08488568 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.1458 H 1.08494263 +1 116.7184757 +1 0.0000000 +0 1 2 0 0.1465 H 1.08489033 +1 116.6709882 +1 144.7520831 +1 1 2 3 0.1460 F 2.09355331 +1 79.5595964 +1 -72.5472306 +1 1 2 4 -0.9139 Cl 1.98121456 +1 100.4060420 +1 -179.9968361 +1 1 2 5 -0.5461