Abstract
Empirical conformational energy calculations were performed on helical poly(2,3-guinoxaline)s to predict stable conformations. Two energy minimum conformations were found by varying the dihedral angle (ψ) between two adjacent quinoxaline units from 5 to 180°. Circular dichroism (CD) spectra were calculated for the two stable conformations (ψ=45 and 135°) on the basis of exciton theory. The experimental CD spectrum of (+)-poly(2,3-guinoxaline) was in accord with the theoretical spectrum for a right-handed helical conformation with a dihedral angle of 135°
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