STUDY OF INFRARED-SPECTRUM OF 3,3'-DICHLOROINDANTHRONE

A complete calculation has been performed for the infrared spectrum of the molecule of 3,3'-dichloroindathrone, including vibration frequenc ies and intensities and the spectral curve. The satisfactory agreement that has been obtained between the calculated and experimental spectr a has made it possible to interpret the spectrum in detail, to determi ne the characteristic spectral regions for manifestation of vibrations that pertain in form to such structural fragments of the molecule as the anthraquinone fragment, the nitrogen-containing ring, and the ring that embodies a hydrogen bond; and to obtain information on the sensi tivity of vibrations to chlorination of indanthrone. The features that have been revealed have the character of a spectrum/structure correla tion and can be used for analytical purposes.