Version 1
: Received: 27 April 2018 / Approved: 27 April 2018 / Online: 27 April 2018 (16:18:05 CEST)
How to cite:
Tshabalala, T.; Ojwach, S. Kinetics and DFT Studies of the Hydrogenation Reactions of Alkenes and Alkynes Catalyzed by (Benzoimidazol-2-ylmethyl)amine palladium(II) Complexes. Preprints2018, 2018040364. https://doi.org/10.20944/preprints201804.0364.v1
Tshabalala, T.; Ojwach, S. Kinetics and DFT Studies of the Hydrogenation Reactions of Alkenes and Alkynes Catalyzed by (Benzoimidazol-2-ylmethyl)amine palladium(II) Complexes. Preprints 2018, 2018040364. https://doi.org/10.20944/preprints201804.0364.v1
Tshabalala, T.; Ojwach, S. Kinetics and DFT Studies of the Hydrogenation Reactions of Alkenes and Alkynes Catalyzed by (Benzoimidazol-2-ylmethyl)amine palladium(II) Complexes. Preprints2018, 2018040364. https://doi.org/10.20944/preprints201804.0364.v1
APA Style
Tshabalala, T., & Ojwach, S. (2018). Kinetics and DFT Studies of the Hydrogenation Reactions of Alkenes and Alkynes Catalyzed by (Benzoimidazol-2-ylmethyl)amine palladium(II) Complexes. Preprints. https://doi.org/10.20944/preprints201804.0364.v1
Chicago/Turabian Style
Tshabalala, T. and Stephen Ojwach. 2018 "Kinetics and DFT Studies of the Hydrogenation Reactions of Alkenes and Alkynes Catalyzed by (Benzoimidazol-2-ylmethyl)amine palladium(II) Complexes" Preprints. https://doi.org/10.20944/preprints201804.0364.v1
Abstract
A series of (benzoimidazol-2-ylmethyl)amine palladium(II) complexes have been employed as catalysts in the homogenous hydrogenation of alkenes and alkynes under mild conditions. A correlation between the catalytic activity and the nature of the ligand was established. Kinetic studies of the hydrogenation reactions of styrene established pseudo-first-order dependence on styrene substrate. On the other hand, partial orders with respect to H2 and catalyst concentrations were obtained consistent with the formation of palladium(II) monohydride species as the active species. The nature of the solvent used influenced the hydrogenation reactions, where coordinating solvents resulted in lower catalytic activities. Density functional theory investigations provided valuable insights into the reactivity trends and influence of complex structure on the hydrogenation reactions.
Chemistry and Materials Science, Applied Chemistry
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