Infrared Spectra of Pyrene Derivatives. Relation to the Substitution Pattern.

Abstract

The IR spectra of 137 pyrene derivatives counting twentyone different types of substitution patterns have been investigated and a set of empirical rules based on band positions and intensities have been formulated which allow most types of pyrene derivatives to be structurally assigned. The investigation of 1-, 1,3-, 1,6-, 1,8- and 1,3,6,8-substituted pyrenes has made a reassignment of the 680 cm-1 band to an Au species possible.