Synthesis and Theoretical Studies of the Stability of Tetrahalide Tungsten Molecular Complexes trans-[WX4(OPPh3)2] (X = Cl, Br, or I) | Sciact - CRIS-система Института катализа

Synthesis and Theoretical Studies of the Stability of Tetrahalide Tungsten Molecular Complexes trans-[WX4(OPPh3)2] (X = Cl, Br, or I) Научная публикация

Журнал

Inorganic Chemistry
ISSN: 0020-1669 , E-ISSN: 1520-510X

Вых. Данные

Год: 2025, Том: 64, Номер: 51, Страницы: 25053–25064 Страниц : 12 DOI: 10.1021/acs.inorgchem.5c03260

Авторы

Krupenko Nikita ¹ , Poltarak Pavel ¹ , Artemkina Sofya ¹ , Lavrov Alexander ¹ , Gabrienko Anton ² , Brylev Konstantin ¹

Организации

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk 630090, Russian Federation
2	Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Novosibirsk 630090, Russian Federation

Информация о финансировании (3)

1	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	FWUZ-2021-0005 (121031700313-8)
2	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	FWUZ-2021-0001 (121031700321-3)
3	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	FWUR-2024-0032

The work is devoted to theoretical and experimental studies of the synthesis and stability of tungsten tetrahalide complexes trans-[WX4(OPPh3)2] (X = Cl, Br, or I). New molecular complexes of tungsten(IV) trans-[WCl4(OPPh3)2] (I) and trans-[WBr4(OPPh3)2] (II) were obtained in the form of polycrystalline powders starting from different tungsten sources: oxotetrahalides, hexahalides, or trioxide, in the presence of triphenylphosphine and triphenylphosphine oxide. The X-ray crystal structures were determined for I and II (I: P–1, a = 9.3841(10) Å, b = 9.6332(10) Å, c = 10.4243(13) Å, α = 101.585(4)°, β = 108.097(4)°, γ = 93.365(4)°, Z = 1, V = 870.03(17) Å3; II: P– 1, a = 9.5326(5) Å, b = 9.5946(5) Å, c = 10.7150(7) Å, α = 102.387(2)°, β = 107.898(2)°, γ = 94.308(2)°, Z = 1, V = 900.32(9) Å3). Magnetic susceptibility measurements revealed Van Vleck-type paramagnetism for the compounds. In order to estimate the enthalpy of the studied reactions and predict the existence of trans-[WI4(OPPh3)2], DFT calculations were performed. The article discusses the synthesis of new complex compounds I and II, their crystal structures and magnetic properties, and the results of DFT calculations for the reactions involved in the formation of trans-[WX4(OPPh3)2] (X = Cl, Br, or I).

Krupenko N. , Poltarak P. , Artemkina S. , Lavrov A. , Gabrienko A. , Brylev K.
Synthesis and Theoretical Studies of the Stability of Tetrahalide Tungsten Molecular Complexes trans-[WX4(OPPh3)2] (X = Cl, Br, or I)
Inorganic Chemistry. 2025. V.64. N51. P.25053–25064. DOI: 10.1021/acs.inorgchem.5c03260 WOS Scopus CAPlus PMID OpenAlex

Поступила в редакцию:	16 июл. 2025 г.
Принята к публикации:	4 дек. 2025 г.
Опубликована online:	12 дек. 2025 г.
Опубликована в печати:	29 дек. 2025 г.

Web of science:	WOS:001638321400001
Scopus:	2-s2.0-105026083842
Chemical Abstracts:	2025:3067654
PMID (PubMed):	41387342
OpenAlex:	W4417291309

БД	Цитирований
OpenAlex	Нет цитирований
Scopus	Нет цитирований