Research Article

Spectroelectrochemical Investigation of the Interaction of Adenine with Pyridoxine at Physiological pH

Table 3

Experimental Raman and SERS shift values (cm−1) for aqueous solution of adenine-pyridoxine.

Experimental Raman values (cm−1)SERS values (cm−1)Vibrational assignment [34, 35]

16801662sciss NH2, υ (C-N), υ (C-C)/ring stretch
16101626υ (N-C), υ (C-C), δ (H–C–H), δ (C–N–H)
15971589sciss NH2, υ R6 (C=C)
1518δ (C-H ring) + υ (C-C)
14851463υ (N-C), δ (C-H), sciss NH2
14201402υ (C-N), δ (C-H), υ (C–C) + δ (CH3)
13731372δ (C-H, N-H), υ (C-N) and δ (C–O–H) + δ (C-O-H) + (CH2) twist
13351332δ (C2-H, C8-H, N9-H), υ (C6-N1, C8-N9, N3-C4)
1335δ (C–N–H) + δ (C–C–H) + δ (C–H) i.p., ring τ + δ (H-C-O), υ (C-N)
1308υ (C-N), υ (C-C)
12501245δ (C-H, N-H) i.p., υ (N7-C8), δ (C-O-H)/(C-C-H)
1234rock NH2, υ (C-N, N-C)
11651171δ (C-H, N-H), υ (C-N, N-C)
11281120υ (C8-N9), δ (N9-H, C8-H),
10251033rock NH2, ring stretch, τ (H–C–O–H) + υ (C-C-O)
982wag (C-H) o.p., δ (N–H) o.p. + δ (C–C), υ (C-O)
942962, 942 sh.def R5
893882def R6, R5 υ (C-N)
773800def R6 (wag C-C-C), wag (C-H) o.p.
722732Ring breath whole molecule (distorted)
622623def R6 and R5, τ (C–C–C–H) + stretch quadrant (C–C–C–N), τ (C-C-C-C)
560591wag (C2-H, N9-H) o.p.
533532def R6—i.p./o.p.
533532wag (N-H), def R6, R5—i.p./o.p., δ (OH–C–C–CH3) + τ (H–C–N–H), υ (C-C) + υ (C-O)
474455wag (N-H), τ (NH2) o.p.
375377def R6, R5 wag (N-C-N-C, C-N-C-N), wag (C-N) o.p.

υ = stretching; δ = bending; τ = torsion; rock = rocking; def = deformation; sciss = scissoring; wag = wagging; R5 = five-membered ring; R6 = six-membered ring; breath = breathing; i.p. = in plane; o.p. = out plane; sh. = shoulder.