Table 6.
Calculated and measured frequencies of the studied molecules 1–3b in the νS(C=O) region in chloroform and acetonitrile.
| Code | Chloroform | Acetonitrile | ||||
|---|---|---|---|---|---|---|
| Calc. | Scaled a | Measured | Calc. | Scaled b | Measured | |
| (1b) CH3-Pz-COOCH2CH3 | ||||||
| T3c | 1803.76 | 1715 | 1720 | 1799.13 | 1716 | 1718 |
| T3t | 1824.47 | 1735 | 1814.27 | 1731 | 1730 | |
| (2b) H2N-Pz-COOCH3 | ||||||
| T3c | 1807.09 | 1718 | 1801.77 | 1719 | 1721 | |
| T3t | 1826.99 | 1737 | 1818.40 | 1735 | 1731 | |
| T5c | 1827.74 | 1737 | 1820.13 | 1736 | 1731 | |
| T5t | 1808.87 | 1720 | 1725 | 1805.58 | 1723 | 1721 |
| (3b) O2N-Pz-COOCH3 | ||||||
| T5c | 1840.61 | 1750 | 1751 | 1831.87 | 1748 | 1747 |
| T5t | 1824.01 | 1734 | 1734 | 1822.54 | 1739 | 1739 |
a scaling factor 0.951. b scaling factor 0.954.