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Title:A Rotational Study Of 1-substituted Barbaralones
Author(s):Novo, Miguel Sanz
Contributor(s):Alonso, José L.; Echavarren, Antonio M; Alonso, Elena R.; León, Iker; Mato, Mauro
Subject(s):Large molecules
Abstract:The phenomena of valence tautomerism consists in a particular intramolecular process involving just one reactive species where an intramolecular bond migrates raising to a sometimes different, but not always, molecular structure. In this context, barbaralones, widely well-known fluxional molecules, have been deeply ingrained in the understanding of the phenomena of valence tautomerism. They can undergo low energy [3, 3]-sigmatropic process, where the number of constitutional isomers depends on the presence and chemical nature of any possible substituent that induces isomerization restrictions. We have laser-ablated 1-(4-tert-Butyl)phenyl)tricyclo[$^{2,8}$]nona-3,6-dien-9-one, a large fluxional molecule that is central to the understanding of the phenomena of valence tautomerism, and one conformer has been characterized using chirped-pulse Fourier transform microwave LA-CP-FTMW spectroscopy. This precise structural data should be useful in future studies as a reference point in the characterization of new fluxional molecules. \begin{itemize} \item \textbf{Acknowledgments:} The authors thank the financial fundings from Ministerio de Ciencia e Innovacion (CTQ2016-76393-P and PID2019-111396GB-I00), Junta de Castilla y Leon (VA077U16 and VA244P20) and European Research Council under the European Union's Seventh Framework Programme (FP/2007-2013) / ERC-2013-SyG, Grant Agreement n. 610256 NANOCOSMOS, are gratefully acknowledged. E.R.A. acknowledges MINECO for a Juan de la Cierva postdoctoral fellowship and the Fundación Biofísica Bizkaia (Spain). M.S.N. acknowledges funding from the Spanish "Ministerio de Ciencia, Innovación y Universidades" under predoctoral FPU Grant (FPU17/02987). \end{itemize}
Issue Date:2021-06-23
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Date Available in IDEALS:2021-09-24

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