M. Ferrari et al., COMPLETE ASSIGNMENT OF THE ALIPHATIC CHAINS IN DIMERS, TRIMERS AND POLYMER OF 3-HEXYLTHIOPHENE THROUGH 2D-NMR SPECTROSCOPY, Magnetic resonance in chemistry, 33(8), 1995, pp. 657-663
H-1 and C-13 signals of the hexyl chains of the title compounds were f
ully assigned. The regiochemical features of the aliphatic region of p
roton and carbon spectra were analysed in dimers and trimers. Dimers a
nd trimers proved to be reliable model compounds in the regiochemical
assignment of poly(3-hexylthiophene) even when the aliphatic region of
proton and carbon spectra was involved. The chemical shifts of the pr
otons of CH2(alpha)s and of the hexyl chain as a whole and those of th
e first three aliphatic carbons appear to be the most significant.