Table 3. Experimental and Calculated Infrared Frequencies (cm–1) Using the wB97XD Method for the Studied System.
| CTC |
||||
|---|---|---|---|---|
| 4-DMAP | DDQ | exp. | calc. | assignments |
| 3023 | 2910 | 3049 | υ (CH3) aromatic | |
| 3278 | 3043 | 3278 | υ (CH) aliphatic | |
| 1596 | 1561 | 1584 | υ (C=C) | |
| 1160 | 1203 | 1228 | υ (C–C) | |
| 1220 | 1269 | 1302 | υ (C–N) | |
| 1651 | 1643 | 1655 | υ (C=O) | |
| 2232 | 2205 | 2456 | υ (C≡N) | |
| 757 | 741 | 737 | υ (C–Cl) | |
| 1515 | 1441 | 1409 | υ (C=C) | |
| 1165 | 1215 | 1217 | υ (C–C) | |