Faculty Advisor

Connors, Robert E.

Abstract

Geometry optimization and molecular orbital calculations were carried out for fulvene, diphenylfulvene (DPFU), 9-diphenylmethylenefluorene (DPMF), and 9-[p,p'-bis(dimethylamino) diphenylmethylene]fluorene (DAMF) using the WebMo and Gaussian programs, and Hartree-Fock and B3YLP theories. The time-dependent density functional theory was used to determine oscillator strength and excitation energies.

Publisher

Worcester Polytechnic Institute

Date Accepted

January 2006

Major

Chemistry

Project Type

Major Qualifying Project

Accessibility

Restricted-WPI community only

Advisor Department

Chemistry and Biochemistry

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