A Rotational Study Of 1-substituted Barbaralones

Novo, Miguel Sanz

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https://hdl.handle.net/2142/111497 Copy

Description

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

Issue Date

2021-06-23

Keyword(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[3.3.1.0$^{2,8}$]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}"

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111497

DOI

10.15278/isms.2021.WL09

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