Ab initio and experimental studies of VOC interactions with ionic liquid (C₄mimCl) surfaces

Gas-phase sensors for the detection of alcohols are very important since these classes of compounds are widely used, including in the medical field, within the food industry, and the automotive fuel industry. The interactions between an ionic liquid and different kinds of VOC, e.g., methanol and ethane, were investigated through coupled computational chemistry and experimental techniques. The types of VOC included in this study were alcohols, aldehydes, a ketone, alkanes, alkenes, an alkyne, and an aromatic hydrocarbon. There were interactions between C₄mimCl and alcohols. No new peaks were detected in the IR spectra after exposure of the C₄mimCl to aldehydes, a ketone, an alkane, an alkene, an alkyne, or an aromatic hydrocarbon. In the IR region, C₄mimCl selectively responded to alcohols. Thus, C₄mimCl might be an ideal substrate for the development of selective gas-phase alcohol sensors. This is an abstract of a paper presented at the 103rd AWMA Annual Conference and Exhibition (Calgary, Alberta, Canada 6/22-25/2010).