#pb
but once you "add hydrogens" does'nt the structure change to some other optima?
and I don't want a central "dummy" atom, I need a pi bonded olefin….next
release?
R
/
Cp =
\ /
M P
/ \/\/\/\/\/
Cp
\
R'
where = is a substituted olefin, and is pi bonded to the metal center, and
spins around so that the effects of R (or R') on the energy of the system, (and
the optimum orientation) can be mapped….will a dummy atom or disconnected Cp
system work? How do I measure the distance between the Cp centroid and the
metal center? how do I measure the olefin metal center bond distance, and look
at the effect of the R (or R') group?
more later,
ps, thanks!