ORGN 350 |
| Recent work in our group on face-to-face arene-arene interactions of benzene and substituted aromatics showed an excellent correlation between the face-to-face arene-arene binding energies and the sum of the Hammett substituent constants σp (Σσp) of the substituted aromatics. The results of these computational studies correlate with the types of arene-arene 1:1 co-crystals in the Crystal Structure Database. Here we will present work that extends this line of inquiry by expanding the computational studies and by preparing 1:1 co-crystals that, based on our theoretical studies, should exist in a face-to-face conformation. |
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Heterocycles and Aromatics, Molecular Recognition and Self Assembly
8:00 PM-10:00 PM, Tuesday, April 8, 2008 Morial Convention Center -- Hall A, Poster
Division of Organic Chemistry |