Standard

First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide : Synthesis and structure of Ti4Se9I6. / Poltarak, Pavel A.; Komarov, Vladislav Yu; Kozlova, Svetlana G. et al.

In: Inorganica Chimica Acta, Vol. 488, 24.03.2019, p. 285-291.

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

Harvard

Poltarak, PA, Komarov, VY, Kozlova, SG, Sukhikh, AS, Artemkina, SB & Fedorov, VE 2019, 'First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide: Synthesis and structure of Ti4Se9I6', Inorganica Chimica Acta, vol. 488, pp. 285-291. https://doi.org/10.1016/j.ica.2019.01.037

APA

Poltarak, P. A., Komarov, V. Y., Kozlova, S. G., Sukhikh, A. S., Artemkina, S. B., & Fedorov, V. E. (2019). First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide: Synthesis and structure of Ti4Se9I6. Inorganica Chimica Acta, 488, 285-291. https://doi.org/10.1016/j.ica.2019.01.037

Vancouver

Poltarak PA, Komarov VY, Kozlova SG, Sukhikh AS, Artemkina SB, Fedorov VE. First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide: Synthesis and structure of Ti4Se9I6. Inorganica Chimica Acta. 2019 Mar 24;488:285-291. doi: 10.1016/j.ica.2019.01.037

Author

Poltarak, Pavel A. ; Komarov, Vladislav Yu ; Kozlova, Svetlana G. et al. / First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide : Synthesis and structure of Ti4Se9I6. In: Inorganica Chimica Acta. 2019 ; Vol. 488. pp. 285-291.

BibTeX

@article{432e44de3db8472892a030f96f26091c,
title = "First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide: Synthesis and structure of Ti4Se9I6",
abstract = "The first titanium selenoiodide Ti4Se9I6 was synthesized as black crystals by heating of Ti, Se, and I2 at 250 °C in 5:9:5 M ratio. The crystal structure of the compound was solved by X-ray single-crystal diffractometry (sp. gr. P-1, a = 7.9652(10), b = 10.3390(15), c = 15.692(2) {\AA}; α = 79.116(7)° β = 75.861(7)° γ = 71.437(7)°; Z = 2) with final R1 = 0.0397. The structure includes square {Ti4(μ4-Se)(μ2-Se2)4} fragment coordinated by four terminal and four bridging μ2-I atoms. Ti4+ has d0 configuration, and stability of the structure fragments is provided by metal to ligand bonding which was confirmed by DFT calculations.",
keywords = "Chain structure, DFT calculations, Iodide, Metal chalcohalides, Selenide, Square complex, Synthesis, Titanium, X-ray crystal structure, ACCURATE, NIOBIUM, RICH LANTHANIDE CLUSTERS, DENSITY, ORDER REGULAR APPROXIMATION, INTEGRATION, NB2SE2I6, HALIDE STARTING MATERIALS, CHAIN COMPOUND, THIOBROMIDE",
author = "Poltarak, {Pavel A.} and Komarov, {Vladislav Yu} and Kozlova, {Svetlana G.} and Sukhikh, {Aleksandr S.} and Artemkina, {Sofya B.} and Fedorov, {Vladimir E.}",
year = "2019",
month = mar,
day = "24",
doi = "10.1016/j.ica.2019.01.037",
language = "English",
volume = "488",
pages = "285--291",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - First titanium square fragment {Ti4(μ4-Se)(μ2-Se2)4} in its selenoiodide

T2 - Synthesis and structure of Ti4Se9I6

AU - Poltarak, Pavel A.

AU - Komarov, Vladislav Yu

AU - Kozlova, Svetlana G.

AU - Sukhikh, Aleksandr S.

AU - Artemkina, Sofya B.

AU - Fedorov, Vladimir E.

PY - 2019/3/24

Y1 - 2019/3/24

N2 - The first titanium selenoiodide Ti4Se9I6 was synthesized as black crystals by heating of Ti, Se, and I2 at 250 °C in 5:9:5 M ratio. The crystal structure of the compound was solved by X-ray single-crystal diffractometry (sp. gr. P-1, a = 7.9652(10), b = 10.3390(15), c = 15.692(2) Å; α = 79.116(7)° β = 75.861(7)° γ = 71.437(7)°; Z = 2) with final R1 = 0.0397. The structure includes square {Ti4(μ4-Se)(μ2-Se2)4} fragment coordinated by four terminal and four bridging μ2-I atoms. Ti4+ has d0 configuration, and stability of the structure fragments is provided by metal to ligand bonding which was confirmed by DFT calculations.

AB - The first titanium selenoiodide Ti4Se9I6 was synthesized as black crystals by heating of Ti, Se, and I2 at 250 °C in 5:9:5 M ratio. The crystal structure of the compound was solved by X-ray single-crystal diffractometry (sp. gr. P-1, a = 7.9652(10), b = 10.3390(15), c = 15.692(2) Å; α = 79.116(7)° β = 75.861(7)° γ = 71.437(7)°; Z = 2) with final R1 = 0.0397. The structure includes square {Ti4(μ4-Se)(μ2-Se2)4} fragment coordinated by four terminal and four bridging μ2-I atoms. Ti4+ has d0 configuration, and stability of the structure fragments is provided by metal to ligand bonding which was confirmed by DFT calculations.

KW - Chain structure

KW - DFT calculations

KW - Iodide

KW - Metal chalcohalides

KW - Selenide

KW - Square complex

KW - Synthesis

KW - Titanium

KW - X-ray crystal structure

KW - ACCURATE

KW - NIOBIUM

KW - RICH LANTHANIDE CLUSTERS

KW - DENSITY

KW - ORDER REGULAR APPROXIMATION

KW - INTEGRATION

KW - NB2SE2I6

KW - HALIDE STARTING MATERIALS

KW - CHAIN COMPOUND

KW - THIOBROMIDE

UR - http://www.scopus.com/inward/record.url?scp=85060895703&partnerID=8YFLogxK

U2 - 10.1016/j.ica.2019.01.037

DO - 10.1016/j.ica.2019.01.037

M3 - Article

AN - SCOPUS:85060895703

VL - 488

SP - 285

EP - 291

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

ER -

ID: 18485956