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Crystal and Electronic Structure of 2,9-Dichlorodithioketoquinacridone - Polymorph of Dimethylacetamide-Solvated Crystals -

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2,9-Dichlorodithioketoquinacridone (DTQ-Cl: Fig.1(a)) is a thionated derivative of industrially important 2,9-dichloroquinacridone used as colorants in painting and imaging industries. Crystallographic and electronic characterization has been carried out on dimethylacetamide-solvated single crystals: DTQ-Cl/(DMA)2. There are two crystal Modifications I and II which crystallize in the space group of P21/c and P-1, respectively. In both crystals, two DMA molecules are hydrogen-bonded to one DTQ-Cl molecule. A larger bathochromic is observed on going from solution to the solid state in Modification II than in Modification I (730 and 520 cm−1). This is presumably due to larger excitonic interactions between transition dipoles in modification II than in modification I.
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Document Type: Research Article

Publication date: 2004-01-01

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