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application/vnd.openxmlformats-officedocument.presentationml.presentation ![]() | Presentation | Microsoft PowerPoint 2007 |
application/pdf ![]() | Abstract |
Description
Title: | HYDROGEN BONDING IN 4-AMINOPHENYL ETHANOL: A COMBINED IR-UV DOUBLE RESONANCE AND MICROWAVE STUDY |
Author(s): | Obenchain, Daniel A. |
Contributor(s): | Knee, Joseph L.; Novick, Stewart E.; Arsenault, E.A.; Rivera, Cara Rae; Bray, Caitlin |
Subject(s): | Clusters/Complexes |
Abstract: | begin{wrapfigure}{r}{0pt} includegraphics[scale=1.0]{4ae.eps} end{wrapfigure} Both amine and hydroxyl functional groups are present in 4-aminophenyl ethanol (4-AE), and each functional group can form hydrogen bonds with carboxylic acids, such as formic acid and acetic acid. Predicting the structures of such complexes involving 4-AE is rather complex, given the many possible conformations and their similar (and method and basis-dependent) energies. In particular, the carboxyl group, -COOH, can act as both as a hydrogen bond donor or acceptor, or both at once. linebreak linebreak In this study we report the formic acid chem{-} 4-AE hydrogen bonded complex. An infrared-ultraviolet double resonance spectrometer is used to examine the shifts in IR frequencies of 4-AE from the monomer to the complex. Fourier transform microwave spectroscopy is used to determine structures of the species. Results from both experiments are compared to DFT and textit{ab initio} results. Time permitting, results of the water complex with 4-AE will also be presented. |
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/2142/79283 |
Date Available in IDEALS: | 2016-01-05 |