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. 2022 Jul 29;27(15):4853. doi: 10.3390/molecules27154853

Table 1.

Assignation of vibrations from the Raman spectrum of food dye indigo carmine, standard indigo carmine, and the calculated Raman spectrum for and vibrations found in Facio and comparison with literature data.

Food Dye INDIGO Carmine
Exp.
Spectrum Calculated Band Vibrations from Facio Obtained in This Work Ref.
Spectrum Spectrum
Raman shift [1/cm] Raman shift [1/cm]
549 552 561 C-C ring bending: weak; C-H bending: weak; N-H bending: weak; S-O bending: weak [42,48,49]
676 674 669 C-C ring bending: weak; C-H bending: weak; N-H bending: weak [31,48,49]
723 723 705 N-H bending: medium; C-H bending: medium; S-C stretching: weak [49]
766 766 761 C-C ring stretching: weak; C-H bending: weak [42,48,49,50,51,52,53]
869 864 856 C-C-C ring bending: weak; C-N bending: weak [42,49]
1040 1030 1052 C-H bending: strong; C-S stretching: medium; C-C ring stretching: weak [42,48,49]
1137 1137 1157 C-H bending: strong; S-O stretching: weak [48,49,53]
1183 1183 1157 C-C ring stretching: medium; C-H bending: strong; N-H bending: weak [42,48,49,50,51,52]
1248 1240 1235 C-H bending: strong; N-C asymmetrical stretching: medium; C-C ring stretching: weak [42,48,49,50,51,52,53]
1294 1296 1293 C-H bending; C-C ring stretching; N-H stretching [42,48,49,51,53]
1348 1346 1349 C3 = C4 stretching: strong; C-C ring stretching; C-N ring stretching; C-H bending [42,48,51,52]
1442 1473 1458 C-C ring stretching; C-H bending: strong C13-H32, strong C24-H36; N-H bending: weak N5-H29, weak N18-H33 [42,48,49,50,52,53,54]
1578 1576 1588 C = C ring-ring stretching: strong C3-C4; C-C ring stretching; C = O stretching; N-H bending [42,48,49,50,51,52,53,54,55,56]
1625 1626 1625 C = C ring-ring stretching: strong C3-C4; C-C ring stretching; C = O ring symmetrical stretching [42,48,49,50,51,52,53]
1699 1697 1703 C = C ring-ring stretching: strong C3-C4; C = O ring symmetrical stretching: strong C2-O1, strong C8-O9 [42,48,49,50,51,52,53,54,55]