Table 1.
IR band positions of EA from experiment and calculation.
| Experimental | Calculated | Assignment | Calculated A′ |
|---|---|---|---|
| 3351 | 3656 | ν1 (asymm. NH2) | 3.47 × 10−18 |
| 3286 | 3438 | ν2 (symm. NH2) | 1.20 × 10−18 |
| 3185 | ν3 (OH) | ||
| 2928 | 2958 | ν4 (asymm. CH2) | 16.75 × 10−18 |
| 2857 | 2888 | ν5 (symm. CH2) | 9.64 × 10−18 |
| 1607 | 1580 | δ6 (NH2) | 8.31 × 10−18 |
| 1458 | 1460 | δ7 (CH2) | 0.81 × 10−18 |
| 1395 | 1380 | ν8 (CC)+ δ9 (OH, CH) | 2.58 × 10−18 |
| 1360 | 1356 | τ10 (NH, OH) | 2.95 × 10−18 |
| 1253 | 1230 | Skeletal vibrations ( * ) | 0.90 × 10−18 |
| 1175 | 1138 | Skeletal vibrations ( * ) | 2.53 × 10−18 |
| 1082 | 1090 | ν11 (CN, CO) +δ12 (OH)+ τ13 (CC) | 6.97 × 10−18 |
| 1033 | 976 | ν14 (CO)+ δ15 (NH, CH)+ τ16 (CC) | 6.63 × 10−18 |
Notes. Mode assignments in the lower wavenumbers are based on the calculation. The calculated band strengths (A′, cm molecules−1) have been added in the last column. Vibration modes are denoted by Greek letters: stretching (ν), bending (δ), and twisting (τ). Assignments marked with asterisks (*) arise due to strong coupling between stretching and bending modes of different atoms in the EA.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.