Raman spectroscopy study of new thia- and oxazinoquinolinium triodides

Abstract

A number of new solid polyiodides of thia- and oxa-zinoquinolinium derivatives have been characterized using a combined approach of Raman spectroscopy and periodic 3D calculations of the Raman intensities. Various cation–anion ratios, including tri- and polyiodides of the complex structure [I₃⋯I₂]⁻, have been studied. For the oriented single crystal containing the [I₃⋯I₂]⁻ fragments, the polarized Raman spectra and the angular dependency of the band intensities on crystal rotation have been obtained. These techniques have allowed us to get new information on the spatial organization of the intermolecular interactions of iodine in polyiodide-anion chains. They have also shown perspectives on the geometrical characterization of complex polyiodides using Raman spectroscopy.