Synthesis and Theoretical Studies of the Stability of Tetrahalide Tungsten Molecular Complexes trans- [WX 4 (OPPh 3 ) 2 ] (X = Cl, Br, or I) | Sciact - CRIS-system of Boreskov Institute of Catalysis

Synthesis and Theoretical Studies of the Stability of Tetrahalide Tungsten Molecular Complexes trans- [WX 4 (OPPh 3 ) 2 ] (X = Cl, Br, or I) Full article

Journal

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

Output data

Year: 2025, DOI: 10.1021/acs.inorgchem.5c03260

Authors

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

Affiliations

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Acad. Lavrentiev Ave. 3, Novosibirsk 630090, Russian Federation
2	Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russian Federation

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- [WX 4 (OPPh 3 ) 2 ] (X = Cl, Br, or I)
Inorganic Chemistry. 2025. DOI: 10.1021/acs.inorgchem.5c03260 OpenAlex

Submitted:	Jul 16, 2025
Accepted:	Dec 4, 2025
Published online:	Dec 12, 2025

OpenAlex:

W4417291309

Пока нет цитирований