Experimental and theoretical spectral assignments and potential energy distribution of the four dyes.
| S. no. | Dye A | Dye B | Dye C | Dye D | Major vibrations | ||||
|---|---|---|---|---|---|---|---|---|---|
| Expts | Theory | Expts | Theory | Expts | Theory | Expts | Theory | ||
| 1 | 3422.80 | 3704.00 | 3428.58 | 3632.00 | 3425.69 | 3628.00 | 3417.98 | 3629.00 | ϑ sOH |
| 2 | 2782.41 | 3190.00 | 2897.33 | 2910.00 | 2800.24 | 2825.00 | 2797.84 | 2906.00 | ϑ sCH |
| 3 | 1639.55 | 1639.00 | 1565.29 | 1581.00 | 1402.30 | 1402.00 | 1410.98 | 1435.00 | ϑ sCC |
| 4 | 1174.69 | 1179.00 | 1193.98 | 1217.00 | 1184.33 | 1178.00 | 1181.44 | 1169.00 | ϑ sNC |
| 5 | 552.02 | 558.00 | 627.85 | 724.00 | 615.31 | 588.00 | 614.98 | 655.00 | ϑ sSO |
| 6 | 1483.31 | 1448.00 | 1565.29 | 1581.00 | 1491.99 | 1493.00 | 1466.91 | 1304.00 | ϑ sNN |