2011 Student Research Conference:
24th Annual Student Research Conference

Computational Analysis of the Effects of Aromatic vs. Electron Withdrawing Groups on Cyclopentadienylidene Derivatives
Chris C. Jeffrey
Dr. Eric V. Patterson, Faculty Mentor

Carbenes are an important part of chemistry because of their characteristic, divalent neutral carbon atom. This allows them to react differently based upon their electronic state as determined by the spin pairing of the two electrons on the C atom. Many of the higher energy electronic states are unstable and are extremely hard to isolate and observe. Fluorenylidene however is notable for having an observable open-shell singlet state. By studying the electronic configuration of fluorenylidene and derivatives, the aspects of fluorenylidene and the effects of symmetric substitution on the cyclopentadienyldene ring can be studied. By also studying the effects of cyano substitutions and comparing them to the aromatic substitutions, the effects of electron withdrawing vs. electron delocalizing effects can be established and the aspects of fluorenylidene that allow its open shell singlet to be observed will be studied.

Keywords: Chemistry, Computational, Organic, Carbene, Singlet, Fluorenylidene


Presentation Type: Oral Paper

Session: 43-3
Location: MG 1000
Time: 3:15

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