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Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties. / Yushina, I. D.; Matveychuk, Yu V.; Bogdanov, N. E. et al.

In: CrystEngComm, Vol. 27, No. 38, 18.08.2025, p. 6283-6294.

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

Harvard

Yushina, ID, Matveychuk, YV, Bogdanov, NE, Adichtchev, SV, Krylov, AS, Stash, AI, Boldyreva, EV & Bartashevich, EV 2025, 'Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties', CrystEngComm, vol. 27, no. 38, pp. 6283-6294. https://doi.org/10.1039/d5ce00638d

APA

Yushina, I. D., Matveychuk, Y. V., Bogdanov, N. E., Adichtchev, S. V., Krylov, A. S., Stash, A. I., Boldyreva, E. V., & Bartashevich, E. V. (2025). Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties. CrystEngComm, 27(38), 6283-6294. https://doi.org/10.1039/d5ce00638d

Vancouver

Yushina ID, Matveychuk YV, Bogdanov NE, Adichtchev SV, Krylov AS, Stash AI et al. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties. CrystEngComm. 2025 Aug 18;27(38):6283-6294. doi: 10.1039/d5ce00638d

Author

Yushina, I. D. ; Matveychuk, Yu V. ; Bogdanov, N. E. et al. / Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties. In: CrystEngComm. 2025 ; Vol. 27, No. 38. pp. 6283-6294.

BibTeX

@article{fcf3ef817b504130914a8935066f5ba1,
title = "Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties",
abstract = "The response of the diiodobutenyl-bis-thioquinolinium triiodide crystal structure to hydrostatic compression from 1 atm to 4 GPa and mechanical stress was studied using experimental techniques (Raman and Brillouin spectroscopy, single-crystal X-ray diffraction) and periodic DFT modeling. A phase transformation above 2.5(1) GPa manifested itself by abrupt changes in the unit cell parameters and non-merohedral twinning. The changes in the band positions in the low-wavenumber region of Raman spectra were attributed to a change in the bridging hydrogen position in the N⋯H⋯N fragment and to the changes in the anion. The DFT modeling of the crystal structure on compression revealed the changes in the structural fragments that can explain why a high-pressure phase transition takes place.",
author = "Yushina, {I. D.} and Matveychuk, {Yu V.} and Bogdanov, {N. E.} and Adichtchev, {S. V.} and Krylov, {A. S.} and Stash, {A. I.} and Boldyreva, {E. V.} and Bartashevich, {E. V.}",
year = "2025",
month = aug,
day = "18",
doi = "10.1039/d5ce00638d",
language = "English",
volume = "27",
pages = "6283--6294",
journal = "CrystEngComm",
issn = "1466-8033",
publisher = "Royal Society of Chemistry",
number = "38",

}

RIS

TY - JOUR

T1 - Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties

AU - Yushina, I. D.

AU - Matveychuk, Yu V.

AU - Bogdanov, N. E.

AU - Adichtchev, S. V.

AU - Krylov, A. S.

AU - Stash, A. I.

AU - Boldyreva, E. V.

AU - Bartashevich, E. V.

PY - 2025/8/18

Y1 - 2025/8/18

N2 - The response of the diiodobutenyl-bis-thioquinolinium triiodide crystal structure to hydrostatic compression from 1 atm to 4 GPa and mechanical stress was studied using experimental techniques (Raman and Brillouin spectroscopy, single-crystal X-ray diffraction) and periodic DFT modeling. A phase transformation above 2.5(1) GPa manifested itself by abrupt changes in the unit cell parameters and non-merohedral twinning. The changes in the band positions in the low-wavenumber region of Raman spectra were attributed to a change in the bridging hydrogen position in the N⋯H⋯N fragment and to the changes in the anion. The DFT modeling of the crystal structure on compression revealed the changes in the structural fragments that can explain why a high-pressure phase transition takes place.

AB - The response of the diiodobutenyl-bis-thioquinolinium triiodide crystal structure to hydrostatic compression from 1 atm to 4 GPa and mechanical stress was studied using experimental techniques (Raman and Brillouin spectroscopy, single-crystal X-ray diffraction) and periodic DFT modeling. A phase transformation above 2.5(1) GPa manifested itself by abrupt changes in the unit cell parameters and non-merohedral twinning. The changes in the band positions in the low-wavenumber region of Raman spectra were attributed to a change in the bridging hydrogen position in the N⋯H⋯N fragment and to the changes in the anion. The DFT modeling of the crystal structure on compression revealed the changes in the structural fragments that can explain why a high-pressure phase transition takes place.

UR - https://www.mendeley.com/catalogue/850f21de-7c38-3b71-b530-b4dfadc04f67/

UR - https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=105017376368&origin=inward

U2 - 10.1039/d5ce00638d

DO - 10.1039/d5ce00638d

M3 - Article

VL - 27

SP - 6283

EP - 6294

JO - CrystEngComm

JF - CrystEngComm

SN - 1466-8033

IS - 38

ER -

ID: 70299738