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Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181). / Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A. et al.

In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, Vol. 77, 01.02.2021, p. 23-30.

Research output: Contribution to journal › Article › peer-review

Harvard

Sakthidharan, CP, Niewa, R, Zherebtsov, DA, Podgornov, FV, Matveychuk, YV, Bartashevich, EV, Nayfert, SA, Adonin, SA, Gavrilyak, MV, Boronin, VA, Polozov, MA, Karthikeyan, S, Sarojadevi, M, Rajakumar, K & Prabunathan, P 2021, 'Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181)', Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, vol. 77, pp. 23-30. https://doi.org/10.1107/S2052520620014869

APA

Sakthidharan, C. P., Niewa, R., Zherebtsov, D. A., Podgornov, F. V., Matveychuk, Y. V., Bartashevich, E. V., Nayfert, S. A., Adonin, S. A., Gavrilyak, M. V., Boronin, V. A., Polozov, M. A., Karthikeyan, S., Sarojadevi, M., Rajakumar, K., & Prabunathan, P. (2021). Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181). Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 77, 23-30. https://doi.org/10.1107/S2052520620014869

Vancouver

Sakthidharan CP, Niewa R, Zherebtsov DA, Podgornov FV, Matveychuk YV, Bartashevich EV et al. Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181). Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2021 Feb 1;77:23-30. doi: 10.1107/S2052520620014869

Author

Sakthidharan, C. P. ; Niewa, R. ; Zherebtsov, D. A. et al. / Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181). In: Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2021 ; Vol. 77. pp. 23-30.

BibTeX

@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",

}

RIS

TY - JOUR

T1 - Crystal structures and dielectric properties of 4,4′-dimethyl-6,6′-dichlorothioindigo (Pigment Red 181)

AU - Sakthidharan, C. P.

AU - Niewa, R.

AU - Zherebtsov, D. A.

AU - Podgornov, F. V.

AU - Matveychuk, Y. V.

AU - Bartashevich, E. V.

AU - Nayfert, S. A.

AU - Adonin, S. A.

AU - Gavrilyak, M. V.

AU - Boronin, V. A.

AU - Polozov, M. A.

AU - Karthikeyan, S.

AU - Sarojadevi, M.

AU - Rajakumar, K.

AU - Prabunathan, P.

N1 - 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: © 2021 International Union of Crystallography. All rights reserved.

PY - 2021/2/1

Y1 - 2021/2/1

N2 - 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.

AB - 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.

KW - Crystal growth

KW - Crystal structure

KW - DFT studies

KW - Electric conductivity

KW - Pigment Red 181

UR - http://www.scopus.com/inward/record.url?scp=85110787785&partnerID=8YFLogxK

U2 - 10.1107/S2052520620014869

DO - 10.1107/S2052520620014869

M3 - Article

AN - SCOPUS:85110787785

VL - 77

SP - 23

EP - 30

JO - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

JF - Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

SN - 2052-5192

ER -

ID: 34144821