Observation Of 2-naphthalenethiol Homodimer Using Rotational Spectroscopy

Saragi, Rizalina Tama

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https://hdl.handle.net/2142/111492 Copy

Description

Title

Observation Of 2-naphthalenethiol Homodimer Using Rotational Spectroscopy

Author(s)

Saragi, Rizalina Tama

Contributor(s)

• Jaraiz, Martin
• Enriquez, Lourdes
• Lesarri, Alberto
• Juanes, Marcos

Issue Date

2021-06-23

Keyword(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.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

Text

Language

eng

Permalink

http://hdl.handle.net/2142/111492

DOI

10.15278/isms.2021.WD07

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