The Vibrational Spectroscopy of the Valence Bonds of Cu-Doped TiO₂ Using Electronegativity Principle Quantitative Calculations

Table 6

Infrared spectra of the 5 mol%Cu-doped TiO₂ samples with the content and vibrational frequency of valence bonds.

The type of bond	Content (%)	Vibrational frequency (cm^−1)
TiA-O	18.75	1562.7, 1114.3, 843.36, 797.43, 773.15, 712.85, 671.26, 628.09, 586.76, 579.11, 533.05, 509.93, 489.7 and 454.71
TiR-O	20.11	1604.6, 1517.3, 1478.7, 1449.4, 1414.9, 1393.4, 1371.2, 1331.8, 922.88, and 876.86
H-O	7.47	1673.7 and 1636.6
Cu^iA-O	2.56	606.28 and 549.23
Cu^iR-O	3.9	819.88, 696.61, 648.81, and 454.61
Cu^sA-O	1.55	1533.5 and 734.82
Cu^sR-O	2.35	1287.6 and 745.97