Comparison of methods for resolving overlapping curves. Application to an infrared study of rotational isomerism in 2-oxo-furans and -thiophens

Abstract

Graphical, analogue computer, and digital computer methods for curve resolution are compared by applying them to profiles generated by computer combination of individual i.r. curves. Precision of resolution is sensitive to method, degree of curve overlap, and relative curve half-widths. The methods are used to determine thermodynamic parameters for the rotameric equilibria of five heterocyclic compounds.