Polymeric Properties of Three Butidiacetylene Derivatives

Through the semi-experience PM3 calculation, the stacking distance d and angle φ of HDABS-1 HDABS-2, HDABS - 3 three butidiacetylene derivatives are 7.386 Å （38.87°）,6.694 Å （39.77°）, 6.635 Å （40.19°）, respectively. The experiences have demonstrated that the activity of polymerization of the compound HDABS-2 is higher than HDABS-1, Which coincides with the prediction from the stacking distance d and angle φ obtained through the PM3 calculation.