Interpretation of chemical structural changes by target-projection analysis of infrared profiles

Abstract Infrared profiles are used as structural descriptors for a range of chemical systems, embracing samples from process analysis, geochemistry and physical chemistry. Structural mapping by infrared profiling accompanied by target-projection analysis is shown to be a powerful tool for interpretation of the variation pattern in chemical systems. In most of the applications the interpretation complies with the understanding of the chemical changes taking place in the system discussed. For some applications, the target-projection analysis brings new insight by highlighting the changes in the multivariate infrared descriptors.

[1]  Terje V. Karstang,et al.  Maturity of kerogen and asphaltenes determined by partial-least-squares (PLS) calibration and target projection of diffuse reflectance Fourier transformed infrared spectra , 1991 .

[2]  Terje V. Karstang,et al.  Multivariate calibration of diffuse reflectance infrared spectra of coals as an alternative to rank determination by vitrinite reflectance , 1987 .

[3]  Tormod Næs,et al.  Selection of Samples for Calibration in Near-Infrared Spectroscopy. Part I: General Principles Illustrated by Example , 1989 .

[4]  Olav M. Kvalheim,et al.  A general-purpose program for multivariate data analysis , 1987 .

[5]  Terje V. Karstang,et al.  Low-pressure, automated, sample packing unit for diffuse reflectance infrared spectrometry , 1988 .

[6]  Olav M. Kvalheim,et al.  Interpretation of latent-variable regression models , 1989 .

[7]  D. Goring,et al.  A Thermally Induced Transition in the Intensity of the Infrared Absorption of Water at 2100 Cm-1 , 1966 .

[8]  Henry S. Frank,et al.  Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure , 1957 .

[9]  O. Kvalheim,et al.  Structural features of resins, asphaltenes and kerogen studied by diffuse reflectance infrared spectroscopy , 1989 .

[10]  Terje V. Karstang,et al.  Analysis of Nontransparent Polymers: Mixture Design, Second-Derivative Attenuated Total Internal Reflectance FT-IR, and Multivariate Calibration , 1992 .

[11]  W.-H. Yang,et al.  Raman isosbestic points from liquid water , 1986 .