PHYS 540 |
| Host-guest interactions between a novel cyclophane (host) and polycyclic aromatic hydrocarbons (PAHs) and various benzene derivatives (guest) have been the topic of investigation. Previous studies have been carried out using absorption, fluorescence, and NMR techniques. These techniques have shown to favor the host-guest interaction in a 1:1 complexation. The binding constants between guest molecules and cyclophane have been measured. We are using molecular modeling for predicting the most stable conformation of the complex. PC Model calculations have been done with each of the guest molecules and cyclophane to determine which guest molecule is best “fit” within the cyclophane molecule's cavity. |
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PHYS Poster Session - General Theory
7:30 PM-10:00 PM, Wednesday, April 9, 2008 Morial Convention Center -- Hall A, Poster
Division of Physical Chemistry |