Title

Thiophene Donor-Pyridine Acceptor Behavior through Integrated Pi-Systems

Faculty Mentor(s)

Dr. Aimée Tomlinson

Campus

Dahlonega

Proposal Type

Poster

Subject Area

Chemistry

Location

Library Third Floor, Open Area

Start Date

2-4-2014 11:00 AM

End Date

2-4-2014 1:00 PM

Description/Abstract

A series of molecules possessing acceptor and donor systems with various substituents (i.e. thienyl and t-butyl) were examined using TD-DFT B3LYP/6-31G*. The HOMO, LUMO, and optical band gaps were generated and compared. In addition, the electrostatic potential maps and the frontier orbitals were examined. The results of these studies are presented here.

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Apr 2nd, 11:00 AM Apr 2nd, 1:00 PM

Thiophene Donor-Pyridine Acceptor Behavior through Integrated Pi-Systems

Library Third Floor, Open Area

A series of molecules possessing acceptor and donor systems with various substituents (i.e. thienyl and t-butyl) were examined using TD-DFT B3LYP/6-31G*. The HOMO, LUMO, and optical band gaps were generated and compared. In addition, the electrostatic potential maps and the frontier orbitals were examined. The results of these studies are presented here.