Di-tert-butylcatecholate derivatives of titanocene

Pavel A. Petrov; Taisiya S. Sukhikh; Vladimir A. Nadolinny; Artem S. Bogomyakov; Yuliya A. Laricheva; Alexandr V. Piskunov

doi:10.1039/c9nj00771g

Di-tert-butylcatecholate derivatives of titanocene

Pavel A. Petrov, Taisiya S. Sukhikh, Vladimir A. Nadolinny, Artem S. Bogomyakov, Yuliya A. Laricheva, Alexandr V. Piskunov

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

1 Цитирования (Scopus)

Аннотация

Reaction of Cp ₂ TiCl ₂ (Cp = η ⁵ -C ₅ H ₅ ) with sodium 3,6-di-tert-butylcatecholate (Na ₂ Cat ³⁶ ) leads to mononuclear complex [Cp ₂ TiCat ³⁶ ], while the isomeric sodium 3,5-di-tert-butylcatecholate (Na ₂ Cat ³⁵ ) gives the mixed-valence binuclear complex [Cp ₂ Ti(μ-Cat ³⁵ ) ₂ TiCp]. The latter was characterized by EPR spectroscopy and magnetic susceptibility measurements, and shown to be a Ti-centred radical. DFT calculations confirm that the unpaired electron is located on the Ti atom from the TiCp ₂ fragment.

Язык оригинала	английский
Страницы (с-по)	6636-6642
Число страниц	7
Журнал	New Journal of Chemistry
Том	43
Номер выпуска	17
DOI	https://doi.org/10.1039/c9nj00771g
Состояние	Опубликовано - 7 мая 2019

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10.1039/c9nj00771g

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@article{02c0a158d07241ddbf51062720eaf8f3,

title = "Di-tert-butylcatecholate derivatives of titanocene",

abstract = " Reaction of Cp 2 TiCl 2 (Cp = η 5 -C 5 H 5 ) with sodium 3,6-di-tert-butylcatecholate (Na 2 Cat 36 ) leads to mononuclear complex [Cp 2 TiCat 36 ], while the isomeric sodium 3,5-di-tert-butylcatecholate (Na 2 Cat 35 ) gives the mixed-valence binuclear complex [Cp 2 Ti(μ-Cat 35 ) 2 TiCp]. The latter was characterized by EPR spectroscopy and magnetic susceptibility measurements, and shown to be a Ti-centred radical. DFT calculations confirm that the unpaired electron is located on the Ti atom from the TiCp 2 fragment. ",

keywords = "REDOX-ACTIVE LIGANDS, VALENCE TAUTOMERISM, METAL-COMPLEXES, MAGNETIC-PROPERTIES, OXIDATIVE-ADDITION, CRYSTAL-STRUCTURES, ELECTRON-TRANSFER, CHEMISTRY, CATECHOLATE, APPROXIMATION",

author = "Petrov, {Pavel A.} and Sukhikh, {Taisiya S.} and Nadolinny, {Vladimir A.} and Bogomyakov, {Artem S.} and Laricheva, {Yuliya A.} and Piskunov, {Alexandr V.}",

year = "2019",

month = may,

day = "7",

doi = "10.1039/c9nj00771g",

language = "English",

volume = "43",

pages = "6636--6642",

journal = "New Journal of Chemistry",

issn = "1144-0546",

publisher = "ROYAL SOC CHEMISTRY",

number = "17",

}

Di-tert-butylcatecholate derivatives of titanocene. / Petrov, Pavel A.; Sukhikh, Taisiya S.; Nadolinny, Vladimir A. и др.

В: New Journal of Chemistry, Том 43, № 17, 07.05.2019, стр. 6636-6642.

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

TY - JOUR

T1 - Di-tert-butylcatecholate derivatives of titanocene

AU - Petrov, Pavel A.

AU - Sukhikh, Taisiya S.

AU - Nadolinny, Vladimir A.

AU - Bogomyakov, Artem S.

AU - Laricheva, Yuliya A.

AU - Piskunov, Alexandr V.

PY - 2019/5/7

Y1 - 2019/5/7

N2 - Reaction of Cp 2 TiCl 2 (Cp = η 5 -C 5 H 5 ) with sodium 3,6-di-tert-butylcatecholate (Na 2 Cat 36 ) leads to mononuclear complex [Cp 2 TiCat 36 ], while the isomeric sodium 3,5-di-tert-butylcatecholate (Na 2 Cat 35 ) gives the mixed-valence binuclear complex [Cp 2 Ti(μ-Cat 35 ) 2 TiCp]. The latter was characterized by EPR spectroscopy and magnetic susceptibility measurements, and shown to be a Ti-centred radical. DFT calculations confirm that the unpaired electron is located on the Ti atom from the TiCp 2 fragment.

AB - Reaction of Cp 2 TiCl 2 (Cp = η 5 -C 5 H 5 ) with sodium 3,6-di-tert-butylcatecholate (Na 2 Cat 36 ) leads to mononuclear complex [Cp 2 TiCat 36 ], while the isomeric sodium 3,5-di-tert-butylcatecholate (Na 2 Cat 35 ) gives the mixed-valence binuclear complex [Cp 2 Ti(μ-Cat 35 ) 2 TiCp]. The latter was characterized by EPR spectroscopy and magnetic susceptibility measurements, and shown to be a Ti-centred radical. DFT calculations confirm that the unpaired electron is located on the Ti atom from the TiCp 2 fragment.

KW - REDOX-ACTIVE LIGANDS

KW - VALENCE TAUTOMERISM

KW - METAL-COMPLEXES

KW - MAGNETIC-PROPERTIES

KW - OXIDATIVE-ADDITION

KW - CRYSTAL-STRUCTURES

KW - ELECTRON-TRANSFER

KW - CHEMISTRY

KW - CATECHOLATE

KW - APPROXIMATION

UR - http://www.scopus.com/inward/record.url?scp=85064927253&partnerID=8YFLogxK

U2 - 10.1039/c9nj00771g

DO - 10.1039/c9nj00771g

M3 - Article

AN - SCOPUS:85064927253

VL - 43

SP - 6636

EP - 6642

JO - New Journal of Chemistry

JF - New Journal of Chemistry

SN - 1144-0546

IS - 17

ER -

Di-tert-butylcatecholate derivatives of titanocene

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