Journal ArticleDOI
Chemistry of tetrakis(triethyl phosphite) nickel hydride, HNi[P(OEt)3]4+. II. Reaction with 1,3-butadiene. Catalytic formation of hexadienes
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This article is published in Journal of the American Chemical Society.The article was published on 1970-11-01. It has received 85 citations till now. The article focuses on the topics: Nickel hydride & Catalysis.read more
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Komplexkatalyse: XXV. 31P-NMR-spektroskopische charakterisierung der anti- und syn-struktur von C3-substituierten η3-allylbis(triarylphosphit)-nickel(II)-hexafluorophosphat-komplexen und der mechanismus der durch [C3H5Ni(P(OPh)3)2]PF6 katalysierten 1,4-trans-polymerisation des butadiens☆
TL;DR: In this article, the reaction of the polybutadienyl complex with butadiene under chain propagation was monitored by 31 P NMR spectroscopy, and an experimentally well-grounded mechanism of trans regulation with the anti-syn isomerization as the rate-determining step was derived for the first time.
Journal ArticleDOI
Mechanistic Studies of the 1,4-Polymerization of Butadiene According to the π-Allyl-Insertion Mechanism. 2. Density Functional Study of the C−C Bond Formation Reaction in Cationic and Neutral (η3-Crotyl)(η2-/η4-butadiene)nickel(II) Complexes [Ni(C4H7)(C4H6)]+, [Ni(C4H7)(C4H6)L]+ (L = C2H4, PH3), and [Ni(C4H7)(C4H6)X] (X- = I-)
TL;DR: In this paper, the entire catalytic cycle of the 1,4-polymerization of butadiene has been theoretically studied according to the π-allyl-insertion mechanism.
Journal ArticleDOI
Homogeneous nickel‐catalyzed olefin hydrocyanation
W. C. Seidel,C. A. Tolman +1 more
TL;DR: In this article, the authors describe the chemistry behind the du Pont adiponitrile process from a mechanistic viewpoint, which can be broken down into two major steps: the first step, hydrogen cyanide (HCN) is added to butadiene in the presence of NiL4 catalyst to give 3-pentenenitrile (3PN) and 2-methyl-3-butenensitrile(2M3BN).
Journal ArticleDOI
Mechanistic Studies of the 1,4-Polymerization of Butadiene According to the π-Allyl-Insertion Mechanism. 3. Density Functional Study of the C−C Bond Formation Reaction in Cationic “Ligand-Free” (η3:η2-Heptadienyl)(η2-/η4-butadiene)nickel(II) Complexes [Ni(C7H11)(C4H6)]+
Sven Tobisch,Rudolf Taube +1 more
TL;DR: In this article, the authors investigated competitive chain propagation cycles for generation of a cis-1,4- and trans-1-4-polymer, and also anti−syn isomerization.