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The calculated bond length (Å) wavenumbers (cm−1) of characteristic groups of A12, I16, II16, A12/I16 and A12/II16.
| Compound | ύOH (cm−1) | O-H (Å) | ύC=O (cm−1) | C=O (Å) | ύC=NPyr (cm−1) | C=NPyr (Å) | ύH-bond (cm−1) | H-Bond (Å) |
|---|---|---|---|---|---|---|---|---|
| A 12 | 3660.9 | 0.976 | 1691.0 | 1.237 | ||||
| I 16 | 1595 | 1.356 | ||||||
| II 16 | 1593.5 | 1.351 | ||||||
| A12/I16 | 2511.4 | 1.040 | 1686.8 | 1.255 | 1609.2 | 1.354 | 2511.4 | 1.606 |
| A 12 /II 16 | 2573.0 | 1.032 | 1666.6 | 1.252 | 1599.4 | 1.352 | 2573.0 | 1.620 |
