Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181)

The structures of the red polymorph (space group P 1) and the black polymorph (space group P21/c) of 4,4′-dimethyl-6,6′-dichlorothioindigo were solved from single-crystal samples. For both polymorphs, the spatial stacking of the flat molecules is driven by π-stacking and noncovalent interactions within the layers. Spectroscopic (UV-vis, IR and photoluminescence) and thermal properties of the red polymorph were investigated experimentally. The bandgap of this polymorph was estimated as 2.08 eV at room temperature. It is demonstrated that the electric conductivity of the red polymorph follows the hopping mechanism.

Authors
Sakthidharan C.P.1 , Zherebtsov D.A.1 , Podgornov F.V.1 , Matveychuk Y.V.1 , Bartashevich E.V.1 , Nayfert S.A.1 , Adonin S.A.1, 3, 4 , Gavrilyak M.V.1 , Boronin V.A.1, 5 , Polozov M.A.1 , Rajakumar K.1 , Niewa R.2 , Karthikeyan S. 6 , Sarojadevi M.7 , Prabunathan P.8
Number of issue
2
Language
English
Pages
23-30
Status
Published
Volume
77
Year
2021
Organizations
  • 1 South Ural State University
  • 2 Nikolaev Institute of Inorganic Chemistry Sb Ras
  • 3 Novosibirsk State University
  • 4 Institute of Electrophysics|Ural Branch of Russian Academy of Sciences
  • 5 Institute of Inorganic Chemistry|University of Stuttgart
  • 6 Peoples' Friendship University of Russia
  • 7 Anna University
  • 8 Psg Institute of Technology and Applied Research
Keywords
crystal growth; crystal structure; DFT studies; electric conductivity; Pigment red 181
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