The styrene oxide dimer story

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https://hdl.handle.net/2142/104422

Title: The styrene oxide dimer story
Author(s): Schnell, Melanie
Contributor(s): Domingos, Sergio R.
Issue Date: 2019-06-20
Keyword(s): Non-covalent interactions
Abstract: The processes that govern aggregation at the molecular level are loosely established. Molecular recognition is mediated via a delicate balance between the prevailing intermolecular interactions at play, hydrogen bonding and dispersion interactions. Using high-resolution broadband rotational spectroscopy and supersonic jets, we studied the styrene oxide dimer. Due to its chirality, these dimers exist as enantiomeric and diastereomeric pairs, with the diastereomers being directly differentiable via their rotational spectra. Interestingly, the three most stable styrene oxide dimers are stabilized by three intermolecular contacts, arising from two CH-O and $\pi$-$\pi$ interactions. The phenyl groups show a similar arrangement as in the case of the parallel-displaced benzene dimer. The next set of dimers, which are slightly higher in energy, is stabilized by two CH-$\pi$ interactions each. The interplay between hydrogen bonding and dispersion on the formation of these homo- and heterodimers as well as their prospects for chiral tagging will be discussed.
Publisher: International Symposium on Molecular Spectroscopy
Type of Resource: text
Language: eng
Permalink: http://hdl.handle.net/2142/104422
DOI: https://doi.org/10.15278/isms.2019.RH01