Files in this item
| Files | Description | Format |
|---|---|---|
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application/vnd.openxmlformats-officedocument.presentationml.presentation  393424.pptx (4MB) | Presentation | Microsoft PowerPoint 2007 |
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application/pdf  1072.pdf (15kB) | Abstract |
Description
| Title: | HYDROGEN-BONDING AND HYDROPHOBIC INTERACTIONS IN THE ETHANOL-WATER DIMER |
| Author(s): | Finneran, Ian A. |
| Contributor(s): | Blake, Geoffrey; Allodi, Marco A.; Carroll, Brandon |
| Subject(s): | Clusters/Complexes |
| Abstract: | The conformational energy landscape of the ethanol-water dimer is determined by the relative hydrogen-bond donor and acceptor strengths of the two molecules, as well as weaker hydrophobic interactions between the water and the ethyl group. Using a combination of textit{ab initio} calculations and chirped-pulse Fourier transform microwave spectroscopy, we have recorded the first rotationally-resolved, jet-cooled spectrum of the ethanol-water dimer between 8-18.5 GHz and identified two water-donor ethanol-acceptor conformers. The lowest energy conformer is chiral, has ethanol in the gauche configuration, and is consistent with previous raman and infrared results.footnote{Nedi_, Marija, et al. PCCP 13.31 (2011): 14050-14063.} The second conformer corresponds to the trans-ethanol configuration, and exhibits a significant splitting. |
| Issue Date: | 25-Jun-15 |
| Publisher: | International Symposium on Molecular Spectroscopy |
| Citation Info: | ACS |
| Genre: | CONFERENCE PAPER/PRESENTATION |
| Type: | Text |
| Language: | English |
| URI: | http://hdl.handle.net/2142/79182 |
| Date Available in IDEALS: | 2016-01-05 |