Infrared studies and temperature effects of hydrated alkali metal ion—crown ether systems

PHYS 321

Jason D. Rodriguez, and James M. Lisy, Department of Chemistry, University of Illinois at Urbana-Champaign, 600 S. Mathews, Urbana, IL 61801
The ability of crown ethers to selectively bind metal ions in solution is of great importance in a wide variety of fields. However, the origin of this behavior is not well understood. Gas-phase experiments provide a suitable avenue to study these complexes from a fundamental level. We have used infrared spectroscopy combined with density functional theory calculations to study the step-wise microsolvation of the M+(12-crown-4)(H2O)n and M+(18-crown-6)(H2O)n systems for n=1-4 in the O—H stretching region of water for the alkali metal ion series. Additionally, we will present new studies where these complexes have been tagged with argon, which allows us to consider temperature effects. Insight gained from this study may shed light on the molecular basis behind the selectivity exhibited in solution and provide the basis for the design and development of new, more selective ionophores.

PHYS Poster Session - Water Mediated Interactions
7:30 PM-10:00 PM, Wednesday, August 20, 2008 Pennsylvania Convention Center -- Hall C, Poster

8:00 PM-10:00 PM, Monday, August 18, 2008 Pennsylvania Convention Center -- Hall C, Sci-Mix

Division of Physical Chemistry

The 236th ACS National Meeting, Philadelphia, PA, August 17-21, 2008