University of Illinois Urbana-Champaign

HYDROGEN BONDING IN 4-AMINOPHENYL ETHANOL: A COMBINED IR-UV DOUBLE RESONANCE AND MICROWAVE STUDY

Obenchain, Daniel A.

Content Files
289196.pptx
788.pdf

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https://hdl.handle.net/2142/79283

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
Issue Date
25-Jun-15
Keyword(s)
Clusters/Complexes
Date of Ingest
2016-01-05T20:01:57Z
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.
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/79283

Owning Collections

Abstracts & Presentations - 2015 International Symposium on Molecular Spectroscopy PRIMARY