DRC Reaction: Sn2 Walden inversion  (Home)

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  ===>    In this reaction, both species, the F- and the CH3Cl, are cold - although how the temperature of an ion is determined is not clear - and the fluoride ion is given a velocity equivalent to 8 kcal/mol in the direction of the chloromethane.  After the reaction occurs, the resulting fluoromethane is obviously hot.

Data set used by MOPAC:

 charge=-1  cycles=4000 drc t-priority=0.4 kinetic=8 velocity gnorm=0.00
  Sn2, with F(-) approaching at speed

  F        -2.28539721 +1   -0.0081940 +1   -0.0164509 +1                     -0.9957
  C         5.00000001 +0    0.0012649 +1    0.0020910 +1                     -0.2434
  H         4.64150584 +1    1.0349892 +1    0.0139479 +1                      0.1794
  H         4.63855293 +1   -0.5295694 +1    0.8880395 +1                      0.1797
  H         4.65231980 +1   -0.5043227 +1   -0.9038589 +1                      0.1795
 Cl         6.82222152 +1    0.0057809 +1    0.0160620 +1                     -0.2995
  
 -1 0 0
  0 0 0
  0 0 0
  0 0 0
  0 0 0
  0 0 0
  0 0 0
  0 0 0