Compound | Raman frq. (cm−1) | Infrared frq. (cm−1) | References | ||||||
---|---|---|---|---|---|---|---|---|---|
Std. | Pred. | Dev. | %Error | Std. | Pred. | Dev. | %Error | ||
Malic acid | 1422 | 1575 | − 153 | − 10.76 | 1716 | 1788 | − 72 | − 4.20 | [215] |
963 | 984 | − 21 | − 2.18 | 1288 | 1336 | − 48 | − 3.73 | ||
532 | 436 | 96 | 18.05 | 1103 | 1222 | − 119 | − 10.79 | ||
Primidone | 3012 | 3582 | − 570 | − 18.92 | 2990 | 2115 | 875 | 29.26 | |
1322 | 1367 | − 45 | − 3.40 | 1620 | 1653 | − 33 | − 2.04 | ||
963 | 838 | 125 | 12.98 | 765 | 799 | − 34 | − 4.44 | ||
Acetaminophen | 2934 | 2106 | 828 | 28.22 | 3588 | 3710 | − 122 | − 3.40 | |
1449 | 1499 | − 50 | − 3.45 | 3435 | 3568 | − 133 | − 3.87 | ||
664 | 544 | 120 | 18.07 | 1690 | 1689 | 1 | 0.06 | ||
Chloral hydrate | 1760 | 1699 | 61 | 3.47 | 3720 | 3588 | 132 | 3.55 | [222] |
223 | 290 | − 67 | − 30.04 | 1765 | 1725 | 40 | 2.27 | ||
172 | 190 | − 18 | − 10.47 | 169 | 171 | − 2 | − 1.18 | ||
Halothane | 1313 | 1326 | − 13 | − 0.99 | 1600 | 1584 | 16 | 1.00 | [223] |
1179 | 1024 | 155 | 13.15 | 814 | 812 | 2 | 0.25 | ||
718 | 661 | 57 | 7.94 | 520 | 502 | 18 | 3.46 | ||
Hydralazine hydrochloride | 3061 | 3704 | − 643 | − 21.01 | 3220 | 3704 | − 484 | − 15.03 | |
1238 | 1226 | 12 | 0.97 | 1590 | 1587 | 3 | 0.19 | ||
449 | 487 | − 38 | − 8.46 | 785 | 751 | 34 | 4.33 | ||
Lithium carbonate | 1459 | 1582 | − 123 | − 8.43 | 2558 | 2137 | 421 | 16.46 | [225] |
1091 | 1053 | 38 | 3.48 | 1495 | 1350 | 145 | 9.70 | ||
866 | 713 | 153 | 17.67 | 1088 | 1053 | 35 | 3.22 | ||
Phenobarbital | 1690 | 1653 | 37 | 2.19 | 1770 | 1739 | 31 | 1.75 | [226] |
1000 | 1104 | − 104 | − 10.40 | 1500 | 1523 | − 23 | − 1.53 | ||
630 | 702 | − 72 | − 11.43 | 830 | 824 | 6 | 0.72 | ||
Sorbitol | 3240 | 3543 | − 303 | − 9.35 | 2952 | 3543 | − 591 | − 20.02 | [227] |
2952 | 3542 | − 590 | − 19.99 | 1422 | 1446 | − 24 | − 1.69 | ||
1132 | 1188 | − 56 | − 4.95 | 1105 | 1109 | − 4 | − 0.36 | ||
Trimethoprim | 3500 | 3599 | − 99 | − 2.83 | 3516 | 3528 | − 12 | − 0.34 | [228] |
1000 | 1022 | − 22 | − 2.20 | 1616 | 1637 | − 21 | − 1.30 | ||
785 | 775 | 10 | 1.27 | 1452 | 1475 | − 23 | − 1.58 |