Table 2. λhigh and λmax for DHAs and VHFs (Electron-Withdrawing Groups—*⟨C2–C3–C3a–C8 of DHAs).
| no. | substituents | DHA (λhigh) (λmax) | f > 0 | dihedral angle* | VHF (λhigh) (λmax) | f > 0 |
|---|---|---|---|---|---|---|
| 1 | 8a-C(O)Me | 327 | 0.12 | –33.41 | 419 | 0.06 |
| 221 | 0.42 | 380 | 0.33 | |||
| 2 | 8-C(O)Me | 341 | 0.10 | –48.07 | 447 | 0.10 |
| 230 | 0.58 | 422 | 0.39 | |||
| 3 | 7-C(O)Me | 324 | 0.10 | –40.82 | 467 | 0.10 |
| 233 | 0.27 | 409 | 0.50 | |||
| 4 | 6-C(O)Me | 339 | 0.19 | –39.91 | 472 | 0.08 |
| 218 | 0.42 | 412 | 0.60 | |||
| 5 | 5-C(O)Me | 341 | 0.05 | –41.78 | 455 | 0.24 |
| 235 | 0.80 | 412 | 0.37 | |||
| 6 | 4-C(O)Me | 334 | 0.09 | –45.53 | 416 | 0.07 |
| 237 | 0.45 | 385 | 0.38 | |||
| 7 | 8a-CO2Me | 320 | 0.14 | –32.97 | 417 | 0.11 |
| 220 | 0.39 | 378 | 0.29 | |||
| 8 | 8-CO2Me | 331 | 0.11 | –47.83 | 447 | 0.18 |
| 225 | 0.62 | 422 | 0.34 | |||
| 9 | 7-CO2Me | 324 | 0.11 | –41.08 | 465 | 0.09 |
| 226 | 0.52 | 407 | 0.52 | |||
| 10 | 6-CO2Me | 337 | 0.22 | –40.14 | 460 | 0.09 |
| 216 | 0.47 | 409 | 0.59 | |||
| 11 | 5-CO2Me | 331 | 0.09 | –39.47 | 457 | 0.19 |
| 227 | 0.87 | 414 | 0.44 | |||
| 12 | 4-CO2Me | 326 | 0.13 | –44.99 | 421 | 0.04 |
| 229 | 0.55 | 394 | 0.45 | |||
| 13 | 8a-C(O)NH2 | 321 | 0.13 | –35.09 | 417 | 0.18 |
| 220 | 0.27 | 380 | 0.22 | |||
| 14 | 8-C(O)NH2 | 325 | 0.11 | –46.64 | 446 | 0.19 |
| 222 | 0.49 | 432 | 0.34 | |||
| 15 | 7-C(O)NH2 | 326 | 0.13 | –37.81 | 464 | 0.04 |
| 224 | 0.54 | 415 | 0.58 | |||
| 16 | 6-C(O)NH2 | 328 | 0.22 | –40.61 | 457 | 0.04 |
| 217 | 0.38 | 409 | 0.62 | |||
| 17 | 5-C(O)NH2 | 330 | 0.10 | –37.61 | 444 | 0.15 |
| 226 | 0.77 | 413 | 0.47 | |||
| 18 | 4-C(O)NH2 | 324 | 0.13 | –44.83 | 440 | 0.02 |
| 222 | 0.61 | 411 | 0.52 | |||
| 19 | 8a-C(O)Cl | 320 | 0.13 | –30.96 | 419 | 0.04 |
| 221 | 0.48 | 377 | 0.35 | |||
| 20 | 8-C(O)Cl | 346 | 0.11 | –48.52 | 454 | 0.19 |
| 232 | 0.59 | 414 | 0.30 | |||
| 21 | 7-C(O)Cl | 324 | 0.09 | –41.96 | 486 | 0.08 |
| 232 | 0.43 | 400 | 0.52 | |||
| 22 | 6-C(O)Cl | 344 | 0.25 | –40.75 | 469 | 0.12 |
| 215 | 0.34 | 400 | 0.56 | |||
| 23 | 5-C(O)Cl | 336 | 0.07 | –40.10 | 478 | 0.19 |
| 235 | 0.88 | 410 | 0.43 | |||
| 24 | 4-C(O)Cl | 333 | 0.13 | –45.87 | 421 | 0.08 |
| 238 | 0.44 | 380 | 0.39 |