Hydrogenation of 1‐octene using homogenous pyrazolyl nickel(II) complexes as pre‐catalysts: Experimental and computational studies DOI Open Access
Oluwasegun Emmanuel Olaoye, Olayinka A. Oyetunji, Taye B. Demissie

и другие.

European Journal of Inorganic Chemistry, Год журнала: 2024, Номер 28(4)

Опубликована: Дек. 11, 2024

Abstract We present the synthesis, characterization, and catalytic activities of four bis (pyrazolyl)nickel(II) complexes ( 1 – 4 ) in hydrogenation 1‐octene. Characterization techniques, such as Fourier‐transform infrared spectroscopy, electrospray ionization‐mass spectrometry, elemental analysis, single‐crystal X‐ray diffraction, density functional theory calculations (DFT) were employed. These exhibited significant for olefin under mild experimental conditions. The tert ‐butyl‐substituted bis(pyrazolyl)nickel(II) complex 2 demonstrated highest conversion 1‐octene to n‐octane. catalyst's recyclability was over multiple cycles with minimal activity loss. Catalytic evaluations involved optimizing parameters temperature, pressure, reaction time. Homogeneity tests confirmed homogeneous nature these systems. mechanism studied using DFT calculations. results demonstrate efficacy nickel(II) enabling

Язык: Английский

Exploring the mechanism of Ni-catalyzed four-component carbonylation of alkenes and ethers using density functional theory DOI

Biyao Yang,

Congcong Huang, Huan Wang

и другие.

Molecular Catalysis, Год журнала: 2025, Номер 575, С. 114920 - 114920

Опубликована: Фев. 17, 2025

Язык: Английский

Процитировано

0
Divergent Asymmetric Dialkylation of Dienoic Acids with Carbonyls and Zinc Reagents via Tandem Ni(0) and Ni(II) Catalysis DOI

Shun‐Zhong Tan,

D. Zhang,

Lei Zhu

и другие.

Journal of the American Chemical Society, Год журнала: 2025, Номер unknown

Опубликована: Июнь 4, 2025

Reductive elimination of dialkyl Ni(II) species for the enantioselective construction a C(sp3)-C(sp3) bond represents fundamental challenge due to low oxidative ability ion. Here we report that Ni(0) complex can perform as π-Lewis base activate 2,4-dienoic carboxylate salts formed in situ with zinc reagents, such dimethylzinc, and undergo vinylogous addition carbonyls α-regioselectively stereoselectively. After transmetalation another organometallic reagent, resultant alkyl allylic nickel(II) readily undertake reductive finally forge two bonds, even switchable diastereodivergence α,β- or α,δ-regiodivergence via ligand substrate control. A self-assembled dinuclear Zn cage framework is believed enhance latter process through an intriguing outer-sphere π-acidic activation mode.

Язык: Английский

Процитировано

0
Hydrogenation of 1‐octene using homogenous pyrazolyl nickel(II) complexes as pre‐catalysts: Experimental and computational studies DOI Open Access
Oluwasegun Emmanuel Olaoye, Olayinka A. Oyetunji, Taye B. Demissie

и другие.

European Journal of Inorganic Chemistry, Год журнала: 2024, Номер 28(4)

Опубликована: Дек. 11, 2024

Abstract We present the synthesis, characterization, and catalytic activities of four bis (pyrazolyl)nickel(II) complexes ( 1 – 4 ) in hydrogenation 1‐octene. Characterization techniques, such as Fourier‐transform infrared spectroscopy, electrospray ionization‐mass spectrometry, elemental analysis, single‐crystal X‐ray diffraction, density functional theory calculations (DFT) were employed. These exhibited significant for olefin under mild experimental conditions. The tert ‐butyl‐substituted bis(pyrazolyl)nickel(II) complex 2 demonstrated highest conversion 1‐octene to n‐octane. catalyst's recyclability was over multiple cycles with minimal activity loss. Catalytic evaluations involved optimizing parameters temperature, pressure, reaction time. Homogeneity tests confirmed homogeneous nature these systems. mechanism studied using DFT calculations. results demonstrate efficacy nickel(II) enabling

Язык: Английский

Процитировано

0