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Experimental assignments of vibrations of 4-ATP solid and 4-ATP on the Au/DW substrate (ν, stretching; δ, bending; γ, out-of-plane deformation (respect to the benzene ring)).
| Modes | Solid | SERS | Band Assignment |
|---|---|---|---|
| 11(b1) | 825 | πCH | |
| 18a(a1) | 1005 | 1007 | γCC + γCCC |
| 7a(a1) | 1087 | 1077 | νCS |
| 9b(b2) | 1140 | δCH | |
| 9a(a1) | 1177 | 1185 | δCH |
| 7a(a1) | 1290 | νCH | |
| 3b(b2) | 1390 | ||
| 19a(a1) | 1492 | νCC + δCH | |
| 19b(b2) | 1443 | νCC + δCH | |
| 8a(a1) | 1593 | 1586 | νCC |
