Formation Mechanism of Alkyl Nitrites,Valuable Intermediates in C1-Upgrading Chemistry and Oxidation Processes |
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Authors: | Ive Hermans Joaquim Henrique Teles Richard Dehn Till-Christian Brüggemann Robert Send Philipp Nikolaus Plessow |
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Affiliation: | 1. Department of Chemistry and Applied Biosciences, ETH Zurich, Wolfgang-Pauli-Strasse 10, 8093, Zurich, Switzerland 2. Departments of Chemistry and Chemical and Biological Engineering, University of Wisconsin – Madison, 1101 University Avenue, Madison, WI, 53706, USA 3. BASF SE, 67056, Ludwigshafen, Germany
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Abstract: | In this contribution we use computational tools to investigate the reaction of alcohol substrates with reactive nitrogen oxide species such as N2O3 and N2O4, leading to the formation of alkyl nitrites. These nitrites are interesting intermediates which can be processed to various valuable chemicals such as ketones/aldehydes and dimethyl oxalate while regenerating NO x . As such, NO x is used as an oxidation mediator, converting alcohol substrates to more reactive nitrites which can be selectively converted to more desired compounds, closing a catalytic cycle in NO x species. |
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