@article{34c8ffb683b1476ea3415d3691d5c9be,
title = "Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181)",
abstract = "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.",
keywords = "Crystal growth, Crystal structure, DFT studies, Electric conductivity, Pigment Red 181",
author = "Sakthidharan, {C. P.} and R. Niewa and Zherebtsov, {D. A.} and Podgornov, {F. V.} and Matveychuk, {Y. V.} and Bartashevich, {E. V.} and Nayfert, {S. A.} and Adonin, {S. A.} and Gavrilyak, {M. V.} and Boronin, {V. A.} and Polozov, {M. A.} and S. Karthikeyan and M. Sarojadevi and K. Rajakumar and P. Prabunathan",
note = "Funding Information: The following funding is acknowledged: Ministry of Science and Higher Education of the Russian Federation. Funding Information: The reported study was funded by Ministry of Science and High Education of Russian Federation FENU-2020-0019, by RFBR, project number 20-33-90094, and by the Government of the Russian Federation, Act 211, Contract No. 02.A03.21.0011. M. V. Gavrilyak acknowledges the support from G. P. Vyatkin scholarship. Spectral and thermal analyzes and powder X-ray diffraction studies were carried out in the scientific and educational center of Nanotechnology of SUSU. Publisher Copyright: {\textcopyright} 2021 International Union of Crystallography. All rights reserved.",
year = "2021",
month = feb,
day = "1",
doi = "10.1107/S2052520620014869",
language = "English",
volume = "77",
pages = "23--30",
journal = "Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials",
issn = "2052-5192",
publisher = "Wiley-Blackwell",
}