Abstract
Multidimensional Kramers rate theory is employed to examine the influence exerted by double bonds on the kinetics of conformational transitions of single bonds in trans-polybutadiene and poly(transpropenylene). For both molecules, a detailed discussion of the geometric and potential energy factors that determine the transition rates of the various types of single bonds is presented. Single bonds having nextnearest-neighbor double bonds are found to have mean transition rates half an order of magnitude smaller than that of a polymethylene-like molecule. Single bonds attached to double bonds are predicted to experience up to an order of magnitude enhancement in mean transition rate vis-&-vis polymethylene. Thus, it is concluded that double bonds through their modification of the torsional potential energy surface can produce important effecta on the mechanism and rates of single-bond conformational transitions.
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