Band shape analysis has been applied to the infrared spectra of adsorbed species on solid catalysts. It is found that a small computer system with a CRT graphic display is a powerful tool for data refinement. At first, peak parameters are estimated from the second-derivative curve, which has been smoothed; then follows the correction routine. The system can give quantitative information for a severely overlapped spectrum. It is found that the infrared bands of iron pentacarbonyl adsorbed on TiO<sub>2</sub> consist of two groups such as hydride carbonyl and the carbonyl species bonded to the Lewis acidic sites on TiO<sub>2</sub>.
H. Miyata, K. Fujii, S. Inui, and Y. Kubokawa, "Application of Band Shape Analysis to Infrared Spectra of Adsorbed Species on Solid Catalysts," Appl. Spectrosc. 40, 1177-1180 (1986)