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Title:Observation Of 2-naphthalenethiol Homodimer Using Rotational Spectroscopy
Author(s):Saragi, Rizalina Tama
Contributor(s):Jaraiz, Martin; Enriquez, Lourdes; Lesarri, Alberto; Juanes, Marcos
Subject(s):Non-covalent interactions
Abstract:\begin{wrapfigure}{r}{0pt} \includegraphics[scale=0.4]{2-naphthalenethiol.eps} \end{wrapfigure} Following previous studies of gas-phase dimerization of sulfur-bearing aromatic thiols, like thiophenol\footnote{R.T. Saragi, M. Juanes, C. Pérez, P. Pinacho, D.P. Tikhonov, W. Caminati, M. Schnell, A. Lesarri, \textit{J. Phys. Chem. Lett.} 2021, 12, 5, 1367–1373.}, benzyl mercaptan\footnote{R.T. Saragi, et al., \textit{in publication} 2021.} and 2-phenylethyl mercaptan\footnote{R.T. Saragi, et al., \textit{in publication} 2021.}, we conducted a structural investigation of 2-naphthalenethiol using chirped-pulse Fourier transform microwave spectroscopy in a jet-cooled expansion. Two conformers of the monomer have been observed in the frequency region 2-8 GHz. All monosubstituted ($^{34}$S and $^{13}$C) isotopologues could also be observed. Finally, a single isomer of the homodimer of 2-naphthalenethiol was identified. The homodimer is stabilized by $\pi$-stacking interactions, with no hydrogen bond interaction between the two thiol groups. Supporting ab initio and DFT calculations will be presented.
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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