University of Illinois Urbana-Champaign

The styrene oxide dimer story

Schnell, Melanie

Content Files
1467633.pdf
3999.pdf

Permalink

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

Description

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
Date of Ingest
  • 2019-07-15T22:16:53Z
  • 2020-01-25T19:31:38Z
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
Genre of Resource
Conference Paper / Presentation
Language
eng
Permalink
http://hdl.handle.net/2142/104422
DOI
https://doi.org/10.15278/isms.2019.RH01
Copyright and License Information
Copyright 2019 Melanie Schnell

Owning Collections

Abstracts & Presentations - 2019 International Symposium on Molecular Spectroscopy PRIMARY