Argonne National Laboratory

Upcoming Events

Conversion of Light Alkanes to Alkyl Esters and Chlorides using Iodine Oxides and Chloride: Radical vs Non-Radical Pathways

CSE Seminar
T. Brent Gunnoe, University of Virginia
February 13, 2018 11:00AM to 12:00PM
Building 241, Room D172

Abstract: The selective and direct low -temperature conversion of light alkanes to mono-functionalized products has been a long-standing challenge. In protic media, the reaction of light alkanes (methane, ethane, propane) with iodine oxides results in the conversion to mono-functionalized products. For reactions in trifluoroacetic acid, alkyl trifluoroacetates are the primary products. The transformations are effective over a broad range of temperatures (100-235ÂșC) and pressures (240-6900 kPa) in non-superacidic media. Alkane conversions between 15% and 40% with selectivity for mono-functionalized products between 85% and 95% have been achieved.

The presentation will focus on mechanistic studies that focus on selectivity patterns and kinetic isotope effects for conversion of light alkanes and model hydrocarbons (e.g., adamantane), spectroscopic identification of reaction intermediates, and computational modeling.