Henry, it took a little fixing of Jmol, but I was able to visualize the symmetry there, and this is what I came up with:
The path takes us from D2d through C2 (twist chair) to D2 (twist boat) to C2 (twist chair) to D2d again. The plane of symmetry is broken immediately with the first twist, and it is not regained until the end. I think this is a perfectly valid pathway, symmetry-wise. Hopefully I've made these images small enough to pass the maximum-length filter.An animation which purports to be derived from a molecular dynamics simulation can be seen at > > http://www.youtube.com/user/DokeDJ#p/u/4/bPLREpfZ63I > > and it does seem to support the intermediacy of a boat transition > state at the "mid point" rather than passing directly from a twist > boat to the half chair on one side of the potential. > > Who knows how that demo was generated. It's pretty crude -- I'd like to see the MD calculation that generated it. Obviously it wasn't a linear sequence like that, so something was done to select out desired frames. Bob
<<attachment: chair1-D3d.png>>
<<attachment: twistchair1-C2.png>>
<<attachment: twistboat-D2.png>>
<<attachment: twistchair2-C2.png>>
<<attachment: chair2-D3d.png>>
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