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Title:Characterizing Hydrogen-bonded Systems By Cold-ion Infrared Action Spectroscopy: The Formic Acid Trimer Case
Author(s):Taccone, Martín
Contributor(s):Meijer, Gerard; von Helden, Gert; Ober, Katja; Thomas, Daniel A
Subject(s):Structure determination
Abstract:\begin{wrapfigure}{l}{0pt} \includegraphics[scale=0.3]{Figure1.eps} \end{wrapfigure} Over the years, great effort has been made in understanding small hydrogen-bonded systems due to their relevance in biological sciences, among others. In particular, the formic acid dimer has been long investigating because it represents a suitable model system to gain information about the proton donor-acceptor interactions. Very recently, the ground-state structure of the proton-bound formate dimer was characterized in helium nanodroplets by Thomas et al.\footnote{\textit{Angew. Chem. Int. Ed.} \textbf{2018}, 57, 10615 – 10619} showing that the lowest energy structure corresponds to a symmetrical motif in which the proton is equally shared between the carboxylates. Nevertheless, no reports are found for bigger hydrogen-bonded carboxylate complexes like trimers or tetramers. Here we report the spectrum of the anion formic acid trimer complex in the gas phase, utilizing vibrational spectroscopy of ions trapped in helium nanodroplets in the 400-2000 cm$^{-1}$ region. Isotopic labeling and anharmonic frequency calculations indicate that among several conformers a \textit{C2} symmetry motif may be the prevalent structure found in the gas phase.
Issue Date:2021-06-24
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/111501
Date Available in IDEALS:2021-09-24


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