5 - Max-Planck-Institut für Kohlenforschung

46
Synthetic Organic Chemistry - G. Fink
This figure is a side view of a helical model of an oligonorbornene built-up by 43
monomers. Starting on the left with the structure elements found in the crystal structure
of the pentamer and continued in accordance to the NMR data obtained from the penta-
and heptamers the structure was built and optimized using standard force field
techniques (Sybyl version 6.9.1, Tripos Inc., St. Louis, USA). Bonds between
norbornene monomers are colored in brown.
This figure is a view along the helical axis of the oligo-
norbornene and confirms the compact tight helical super-
structure. This means, this tight rigid polynorbornene backbone
can not be changed into a statistical coil and this is the reason for
the insolubility and infusibility.
Publications resulting from this research area: 144, 296, 364
External funding: none
The insignificant change in
the end-to-end distance of
the oligonorbornene of the
figure on top in the course
of a MD-simulation (Sybyl,
NVE, T = 400 K, time step
1 fs, equilibration phase 10
ps, simulation phase 90 ps)
confirms these conclusions.
Cooperations: W. Thiel (Mülheim/Ruhr, DE); R. Mynott (Mülheim/Ruhr, DE)