A Density Functional Study on Ethylene Trimerization and Tetramerization Using Real Sasol Cr-PNP Catalysts
Abstract
:1. Introduction
2. Results and Discussion
2.1. Structure and Bonding Aspects of the Ortho-Methoxyaryl Cr-PNP Catalyst
2.2. Structure and Bonding Aspects of the Para-Methoxyaryl Cr-PNP Catalyst
2.3. Energetic Aspects of the Cr-PNP Catalyst
3. Computational Methods
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Cheong, M.; Singh, A. A Density Functional Study on Ethylene Trimerization and Tetramerization Using Real Sasol Cr-PNP Catalysts. Molecules 2023, 28, 3101. https://doi.org/10.3390/molecules28073101
Cheong M, Singh A. A Density Functional Study on Ethylene Trimerization and Tetramerization Using Real Sasol Cr-PNP Catalysts. Molecules. 2023; 28(7):3101. https://doi.org/10.3390/molecules28073101
Chicago/Turabian StyleCheong, Minserk, and Ajeet Singh. 2023. "A Density Functional Study on Ethylene Trimerization and Tetramerization Using Real Sasol Cr-PNP Catalysts" Molecules 28, no. 7: 3101. https://doi.org/10.3390/molecules28073101