Dimerization and microsolvation of 2- and 3-thiopheneethanol

Juanes, Marcos

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https://hdl.handle.net/2142/104333 Copy

Description

Title

Dimerization and microsolvation of 2- and 3-thiopheneethanol

Author(s)

Juanes, Marcos

Contributor(s)

• Jaraiz, Martin
• Enriquez, Lourdes
• Lesarri, Alberto
• Saragi, Rizalina Tama

Issue Date

2019-06-20

Keyword(s)

Non-covalent interactions

Abstract

\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.55]{Image4.eps} \centering \end{wrapfigure} We are using rotational spectroscopy to examine sulfur hydrogen bonding in a series of thiophene and furan mercapto derivatives\footnote{M. Juanes, A. Lesarri, R. Pinacho, E. Charro, J. E. Rubio, L. Enríquez, M. Jaraíz, \textit{Chem. Eur. J.}, \textbf{2018}, 24, 6564}, in order to compare their aggregation properties with those of the equivalent alcohols. Here we report on the dimers and monohydrates of 2-thiopheneethanol (2TE) and 3-thiopheneethanol (3TE), isolated in a jet-cooled expansion. Two isomers of (2TE)$_{2}$, three isomers of (3TE)$_{2}$ and the two monohydrates 2TE···H$_{2}$O and 3TE···H$_{2}$O were observed using chirped-pulsed and cavity Fourier transform microwave spectroscopy (2-18 GHz). The dimers are primary bound in all cases by the stronger O-H···O interaction (r$_{O-H}$$_{\cdot}$$_{\cdot}$$_{\cdot}$$_{O}$ ca. 1.88 Å) originated by the alcohol groups. In the monohydrates water behaves as a proton acceptor, and the spectrum shows evidence of torsional tunneling. Rotational parameters and supporting ab initio calculations will be reported.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/104333

DOI

https://doi.org/10.15278/isms.2019.RH08

Copyright and License Information

Copyright 2019 Marcos Juanes

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