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 Title: Automated microwave double resonance spectroscopy: a tool to identify and characterize chemical compounds Author(s): Martin-Drumel, Marie-Aline Contributor(s): Crabtree, Kyle N.; McGuire, Brett A.; Patterson, David; McCarthy, Michael C. Subject(s): Spectroscopy as an analytical tool Abstract: Owing to its unparalleled structural specificity, rotational spectroscopy is a powerful technique to unambiguously identify and characterize volatile, polar molecules. We present here a new experimental approach, automated microwave double resonance (AMDOR) spectroscopy, to rapidly determine the rotational constants of these compounds without any \textit{a priori} knowledge of elemental composition or molecular structure. This task is achieved by rapidly acquiring the classical (frequency vs. intensity) broadband spectrum of a molecule using chirped-pulse Fourier transform microwave (FTMW) spectroscopy, and subsequently analyzing it in near-real time using complementary cavity FTMW detection and double resonance. AMDOR measurements provide a unique barcode'' for each compound from which rotational constants can be extracted. To illustrate the power of this approach, AMDOR spectra of three aroma compounds --- \textit{trans}-cinnamaldehyde, $\alpha$- and $\beta$-ionone --- have been recorded and analyzed. The prospects to extend this approach to mixture characterization and purity assessment are described. Issue Date: 2016-06-22 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper/Presentation Type: Text Language: En URI: http://hdl.handle.net/2142/91132 Rights Information: Copyright 2016 by the authors Date Available in IDEALS: 2016-08-22
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