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Title:DIMERIZATION AND MICROSOLVATION OF 2- AND 3-THIOPHENEETHANOL
Author(s):Juanes, Marcos
Contributor(s):Jaraiz, Martin ; Enriquez, Lourdes ; Lesarri, Alberto ; Saragi, Rizalina Tama
Subject(s):Mini-symposium: 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.
Issue Date:2019-06-20
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/104333
DOI:10.15278/isms.2019.RH08
Rights Information:Copyright 2019 Marcos Juanes
Date Available in IDEALS:2019-07-15
2020-01-25


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