Table 3.
The 2θ peak angle in small-angle region (2θsmall [°]) and wide-angle region (2θwide [°]) obtained from WAXD profile, their 2θ d-spacing values (dLC and dmesogen [Å]), calculated molecular length (l [Å]), and the value of dLC/l.
| Entry | 2θsmall [°] | dLC[a] [Å] | l[b] [Å] | dLC/l [-] | 2θwide [°] | dmesogen [Å] |
|---|---|---|---|---|---|---|
| M5 | 3.60 [c] | 24.6 | 24.2 | 1.0 | 18.5 [c] | 4.78 |
| P1 | 2.09 | 42.4 | 22.4 | 1.9 | 18.9 [d] | 4.71 |
| P2 | 2.01 [e] | 44.0 | 22.4 | 2.0 | 18.3 [e] | 4.85 |
| M6 | 2.97 [c] | 29.8 | 30.2 | 1.0 | 18.5 [c] | 4.78 |
| P3 | 1.61 [e] | 55.1 | 28.9 | 1.9 | 19.3 [e] | 4.60 |
| P4 | 1.61 [e] | 55.1 | 28.9 | 1.9 | 18.9 [e] | 4.69 |
[a] Layer spacing of LC phase (nematic phase for M5, P1, P2, and smectic A phase for M6, P3, P4) calculated from 2θsmall [°] value. [b] Whole molecular length (or length of side-chain for polymers) when alkyl chains are assumed to be fully extended in all-trans (calculated using DFT calculation at the B3LYP/6-31G(d) level of theory). [c] Measured at 80 °C. [d] Measured at 40 °C. [e] Measured at 30 °C.