Preprint Article Version 1 This version is not peer-reviewed

Kinetics and DFT Studies of the Hydrogenation Reactions of Alkenes and Alkynes Catalyzed by (Benzoimidazol-2-ylmethyl)amine palladium(II) Complexes

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. Preprints 2018, 2018040364 (doi: 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 (doi: 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.

Subject Areas

palladium; catalysts; hydrogenation; kinetics; DFT

Readers' Comments and Ratings (0)

Leave a public comment
Send a private comment to the author(s)
Rate this article
Views 0
Downloads 0
Comments 0
Metrics 0
Leave a public comment

×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.