Considered are chain molecules characterized by
rotational potentials with a set of low
energy states separated by large energy barriers. The expectation
is that such chain molecules should
exhibit unique properties. Polynorbornene and laterally
substituted polynorbornenes are characteristic
examples. Simulations based on ab initio methods, semiempirical
quantum mechanical methods, and
force field methods are employed in order to derive information on the
chain conformation and dynamics
of the polynorbornenes. The finding is that they display a random
rigid coil with a characteristic ratio
of the order of 10, that they are not able to collapse even in poor
solvents, and that isolated chains are
rigid up to temperatures well above room temperature. Details of
the rotational potential can be controlled
by a proper selection of lateral substituents.
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