Table 2.

Wavenumbers (cm⁻¹), intensities, and assignments of bands occurring in the IR (Infrared) (KBr and HF –Hartrre-Fock method) and Raman spectra of cichoric acid, sodium salt, and 3D metal complexes.

Cichoric Acid				Sodium Salt				Complexes						Assignments
								Copper			Nickel	Zinc	Cobalt
Experimental		Theoretical		Experimental		Theoretical		Exp	Theoret		Exp	Exp	Exp
IR	Raman	HF	Int	IR	Raman	HF	Int	IR	HF	Int	IR	IR	IR
1746 m		1809	331.95											νasCOOHtart
1716 s		1797	512.19											νasCOOHtart
1682 vs	1681 s	1744	18.96	1699 s	1703 w	1735	7.47	1721 s	1736	9.23	1698 s	1692 m		νC = Ocaff. νC = Calcaff
1624 s	1627 vs	1742	697.97			1732	686.64		1731	669.21				νC = Ocaff. νC = Calcaff
				1626 vs		1580	1255.35	1626 s	1570	1105.71	1630 s	1629 vs	1605 s	νasCOO-
				1385 s	1381 vw	1447	204.62	1384 m	1446	185.54	1385 m	1384 s	1385 m	νsCOO-
				853 w	860 vw	870	18.44	868 w	871	10.97	851 w	853 w	851 m	βsCOO-
						869	8.1		869	20.35				βsCOO-
698 vw	699 vw	739	2.12			746	3.41		745	4.05	698 w	695 m		γCOOH
680 w	685 vw	727	4.36	688 w		727	1.11		726	2.16	691 m		685 m	defring. γCOOH
				521 w		539	40.51	521 m	536	39.39	520 m	520 m	521 m	βasCOO-
						472	39.33		471	46.44				βasCOO-
504 w	504 vw	517	7.63											γO-Hcaff

ν-stretching vibrations, β-bending in-plane, γ-bending out-of-plane, def_ring-deformation of the ring in-plane, s-symmetric oscillations, as-asymmetric oscillations, caff-caffeic acid, tart-tartaric acid.