|
Molecular Model of trans-3-(9-Anthryl)-2-Propenoic Acid Ethyl Ester
The Featured Molecules this month come from the paper by Nguyen and Weisman on solvent-free Wittig reactions and the stereochemical consequences of crowding in the transition state. The molecules include those pictured in the paper as well as the cis-isomer of 3-(9-anthryl)-2-propenoic acid ethyl ester. All structures were optimized at the B3LPY/6-31G* level. In the case of ethyl cinnamate, the cis-isomer is slightly more stable thermodynamically than the trans isomer, lending further support for the argument that the observed product distribution arises from the energetics of the transition state.
Viewing Requirements
In addition to the static images, two fully manipulable versions
(Jmol, MDLChime)
of these molecules appear below.
 Download
Chime (registration required)
|
