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Calculated symmetric (s) and antisymmetric (a) vibrational frequences for dimethyl phosphate and dimethyl phosphate-water complexes.
| Harmonic (cm−1) |
Anharmonic (cm−1) |
Point Charge (cm−1) |
||
|---|---|---|---|---|
| Dimethyl | a | 1248.0 | 1234.5 | – |
| phosphate | s | 1059.0 | 1053.5 | – |
| ADD frequency | a | 7.4 | 9.3 | 4.6 |
| shift | s | −2.6 | 2.7 | −0.8 |
| SDD frequency | a | −35.9 | −34.8 | −29.3 |
| shift | s | 0.3 | −2.3 | −1.8 |
