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. 2016 Jun 28;120(28):15415–15423. doi: 10.1021/acs.jpcc.6b02753

Table 4. Raman Shift Values in the SEHRS and SERS Spectra of Thymine with Hydroxylamine (AgHA) and Citrate (AgCit) Reduced Silver Nanoparticles and Assignment to Vibrations of the Thymine Molecule (Based on References (35) and (12)).

Raman shift/cm–1a
   
SEHRS
SERS
   
AgHA AgCit AgHA AgCit plane assignmentsb
1652 m 1649 s 1647 vs 1649 s in str C2=O, C4=O12,35
1600 vs 1601 vs 1604 m 1605 m in str C2=O, C4=O12
1522 m   1521 m 1520 vw in ring str12
1456 vw 1477 s 1450 vw   in bend CH312
1401 m 1397 vs 1400 s 1396 vs in bend N1–H, N3–H35
1347 m 1352 s 1350 vs 1351 s in bend CH3, def C6–H12,35
1289 m 1279 w 1282 m 1280 m in ring str12,35
1217 m 1220 m 1219 s 1221 m in str C5–C935
1043 br 1034 br 1031 vw 1034 vw out wag CH335
    998 m 1000 w out wag N1–H, N3–H35
821 w 820 w     in ring def12,35
776 w 775 w 785 vs 786 s in ring breath12,35
650 br   630 w   in C2=O, C4=O def35
589 w 590 w 587 m 584 m in ring def35
  556 m     in ring def12
502 m 501 m 502 m 498 w in ring def12,35
452 m 444 m 446 w 439 w out ring def35
a

vs, very strong; s, strong; m, medium; w, weak; vw, very weak; br, broad.

b

Bend, bending; breath, breathing; def, deformation; str, stretching; wag, wagging.