Catalyst Initiation in the Oscillatory Carbonylation Reaction

Katarina Novakovic,Julie Parker

doi:10.1155/2011/518592

Katarina Novakovic, Julie Parker

Open Access

https://doi.org/10.1155/2011/518592

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Abstract

Palladium(II) iodide is used as a catalyst in the phenylacetylene oxidative carbonylation reaction that has demonstrated oscillatory behaviour in both pH and heat of reaction. In an attempt to extract the reaction network responsible for the oscillatory nature of this reaction, the system was divided into smaller parts and they were studied. This paper focuses on understanding the reaction network responsible for the initial reactions of palladium(II) iodide within this oscillatory reaction. The species researched include methanol, palladium(II) iodide, potassium iodide, and carbon monoxide. Several chemical reactions were considered and applied in a modelling study. The study revealed the significant role played by traces of water contained in the standard HPLC grade methanol used.

Highlights

The palladium-catalysed phenylacetylene oxidative carbonylation (PCPOC) reaction stands out in a number of respects
The work presented in this paper studies the interaction between methanol, palladium(II) iodide, potassium iodide, and carbon monoxide
Understanding this subsystem is an important step towards revealing the reaction network responsible for the oscillatory behaviour seen in the PCPOC reaction

Summary

Introduction

The palladium-catalysed phenylacetylene oxidative carbonylation (PCPOC) reaction stands out in a number of respects. The PCPOC reaction represents the first example of complex molecules synthesised from relatively simple reagents proceeding in a catalytic system in an oscillatory mode This is significant as all other oscillating processes, including those driven by heterogeneous catalysis, involve the oxidation, hydrogenation, or destruction of complex molecules [3]. The pH measurements are employed in the modelling study as hydrogen ion concentration. The species researched include CH3OH, PdI2, KI, and CO This subsystem is important to understand the overall oscillatory behaviour recorded in the PCPOC system and to further understand palladium-catalysed reductive carbonylation reactions of alkynes that may lead to the formation of a wide range of products [12, 13]. All chemicals used in this study were purchased from Sigma-Aldrich and employed without further manipulation unless otherwise stated

Experimental Study

Modelling Study

Findings

Discussion and Conclusions