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Octahedral {Ta₆I₁₂} Clusters. / Shamshurin, Maxim V.; Mikhaylov, Maxim A.; Sukhikh, Taisia et al.

In: Inorganic Chemistry, Vol. 58, No. 14, 24.06.2019, p. 9028-9035.

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

Harvard

Shamshurin, MV, Mikhaylov, MA, Sukhikh, T, Benassi, E, Tarkova, AR, Prokhorikhin, AA, Kretov, EI, Shestopalov, MA, Abramov, PA & Sokolov, MN 2019, 'Octahedral {Ta₆I₁₂} Clusters', Inorganic Chemistry, vol. 58, no. 14, pp. 9028-9035. https://doi.org/10.1021/acs.inorgchem.9b00364

APA

Shamshurin, M. V., Mikhaylov, M. A., Sukhikh, T., Benassi, E., Tarkova, A. R., Prokhorikhin, A. A., Kretov, E. I., Shestopalov, M. A., Abramov, P. A., & Sokolov, M. N. (2019). Octahedral {Ta₆I₁₂} Clusters. Inorganic Chemistry, 58(14), 9028-9035. https://doi.org/10.1021/acs.inorgchem.9b00364

Vancouver

Shamshurin MV, Mikhaylov MA, Sukhikh T, Benassi E, Tarkova AR, Prokhorikhin AA et al. Octahedral {Ta₆I₁₂} Clusters. Inorganic Chemistry. 2019 Jun 24;58(14):9028-9035. doi: 10.1021/acs.inorgchem.9b00364

Author

Shamshurin, Maxim V. ; Mikhaylov, Maxim A. ; Sukhikh, Taisia et al. / Octahedral {Ta₆I₁₂} Clusters. In: Inorganic Chemistry. 2019 ; Vol. 58, No. 14. pp. 9028-9035.

BibTeX

@article{9cd1697a6526456cb5db6e09be723a83,

title = "Octahedral {Ta6I12} Clusters",

abstract = "Ta powder reacts with I2 at 650 °C with the formation of Ta6I14, which belongs to the family of {M6(μ-X)12} clusters. It undergoes aquation with the formation of the intensely colored [Ta6I12(H2O)6]2+. The crystal structure was determined for [Ta6I12(H2O)6](BPh4)2·xH2O (Ta-Ta 2.9322(6) {\AA}, Ta-I 2.8104(7) {\AA}, Ta-O 2.3430(5) {\AA}). With DMF, [Ta6I12(DMF)6]I2·xDMF was isolated (Ta-Ta 2.9500(2) {\AA}, Ta-I 2.8310(4) {\AA}, Ta-O 2.2880(7) {\AA}). Cyclic voltammetry of [Ta6I12(H2O)6]2+ shows two consecutive quasi-reversible one-electron oxidations (E1/2 0.61 and 0.92 V vs Ag/AgCl). Reaction of Ta6I14 with Bu4NCN yields (Bu4N)4[Ta6I12(CN)6]·xCH3CN (Ta-Ta 2.9777(4) {\AA}, Ta-I 2.8165(6) {\AA}, Ta-C 2.2730(7) {\AA}). Quantum chemical calculations reproduce well the experimental geometry of the aqua complex and show the essentially Ta-centered nature of both the HOMO and LUMO. The long-term stability of [Ta6I12(H2O)6]2+ solutions can be greatly enhanced in the presence of polystyrenesulfonate (PSS), which forms nanoparticle associates with the aqua complex in water (ca. 1 cluster per 3 PSS monomeric units).",

keywords = "MAGNETIC-PROPERTIES, BASIS-SETS, HEXANUCLEAR, NIOBIUM, TANTALUM, HALIDE, COMPLEXES, THERMOCHEMISTRY, SPECTRA, VALENCE",

author = "Shamshurin, {Maxim V.} and Mikhaylov, {Maxim A.} and Taisia Sukhikh and Enrico Benassi and Tarkova, {Alexandra R.} and Prokhorikhin, {Alexey A.} and Kretov, {Evgeniy I.} and Shestopalov, {Michael A.} and Abramov, {Pavel A.} and Sokolov, {Maxim N.}",

note = "Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = jun,

day = "24",

doi = "10.1021/acs.inorgchem.9b00364",

language = "English",

volume = "58",

pages = "9028--9035",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "14",

}

RIS

TY - JOUR

T1 - Octahedral {Ta6I12} Clusters

AU - Shamshurin, Maxim V.

AU - Mikhaylov, Maxim A.

AU - Sukhikh, Taisia

AU - Benassi, Enrico

AU - Tarkova, Alexandra R.

AU - Prokhorikhin, Alexey A.

AU - Kretov, Evgeniy I.

AU - Shestopalov, Michael A.

AU - Abramov, Pavel A.

AU - Sokolov, Maxim N.

PY - 2019/6/24

Y1 - 2019/6/24

N2 - Ta powder reacts with I2 at 650 °C with the formation of Ta6I14, which belongs to the family of {M6(μ-X)12} clusters. It undergoes aquation with the formation of the intensely colored [Ta6I12(H2O)6]2+. The crystal structure was determined for [Ta6I12(H2O)6](BPh4)2·xH2O (Ta-Ta 2.9322(6) Å, Ta-I 2.8104(7) Å, Ta-O 2.3430(5) Å). With DMF, [Ta6I12(DMF)6]I2·xDMF was isolated (Ta-Ta 2.9500(2) Å, Ta-I 2.8310(4) Å, Ta-O 2.2880(7) Å). Cyclic voltammetry of [Ta6I12(H2O)6]2+ shows two consecutive quasi-reversible one-electron oxidations (E1/2 0.61 and 0.92 V vs Ag/AgCl). Reaction of Ta6I14 with Bu4NCN yields (Bu4N)4[Ta6I12(CN)6]·xCH3CN (Ta-Ta 2.9777(4) Å, Ta-I 2.8165(6) Å, Ta-C 2.2730(7) Å). Quantum chemical calculations reproduce well the experimental geometry of the aqua complex and show the essentially Ta-centered nature of both the HOMO and LUMO. The long-term stability of [Ta6I12(H2O)6]2+ solutions can be greatly enhanced in the presence of polystyrenesulfonate (PSS), which forms nanoparticle associates with the aqua complex in water (ca. 1 cluster per 3 PSS monomeric units).

AB - Ta powder reacts with I2 at 650 °C with the formation of Ta6I14, which belongs to the family of {M6(μ-X)12} clusters. It undergoes aquation with the formation of the intensely colored [Ta6I12(H2O)6]2+. The crystal structure was determined for [Ta6I12(H2O)6](BPh4)2·xH2O (Ta-Ta 2.9322(6) Å, Ta-I 2.8104(7) Å, Ta-O 2.3430(5) Å). With DMF, [Ta6I12(DMF)6]I2·xDMF was isolated (Ta-Ta 2.9500(2) Å, Ta-I 2.8310(4) Å, Ta-O 2.2880(7) Å). Cyclic voltammetry of [Ta6I12(H2O)6]2+ shows two consecutive quasi-reversible one-electron oxidations (E1/2 0.61 and 0.92 V vs Ag/AgCl). Reaction of Ta6I14 with Bu4NCN yields (Bu4N)4[Ta6I12(CN)6]·xCH3CN (Ta-Ta 2.9777(4) Å, Ta-I 2.8165(6) Å, Ta-C 2.2730(7) Å). Quantum chemical calculations reproduce well the experimental geometry of the aqua complex and show the essentially Ta-centered nature of both the HOMO and LUMO. The long-term stability of [Ta6I12(H2O)6]2+ solutions can be greatly enhanced in the presence of polystyrenesulfonate (PSS), which forms nanoparticle associates with the aqua complex in water (ca. 1 cluster per 3 PSS monomeric units).

KW - MAGNETIC-PROPERTIES

KW - BASIS-SETS

KW - HEXANUCLEAR

KW - NIOBIUM

KW - TANTALUM

KW - HALIDE

KW - COMPLEXES

KW - THERMOCHEMISTRY

KW - SPECTRA

KW - VALENCE

UR - http://www.scopus.com/inward/record.url?scp=85069889350&partnerID=8YFLogxK

U2 - 10.1021/acs.inorgchem.9b00364

DO - 10.1021/acs.inorgchem.9b00364

M3 - Article

C2 - 31247827

AN - SCOPUS:85069889350

VL - 58

SP - 9028

EP - 9035

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 14

ER -

ID: 21043646