Effects of Conjugation in Length and Dimension on Two-Photon Properties of Fluorene-Based Chromophores (Preprint)

Abstract

We report the computed two-photon (TPA) absorption spectra based upon the results obtained from quadratic response time-dependent density functional theory for fluorine-based donor-pi-acceptor molecules. Coulomb attenuated functionals with a long-range exchange contribution are applied to predict TPA excitation energies and cross sections and to account for the observed spectral anomalies. The effects of conjugation and multibranching on the TPA spectra are discussed.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 2007
Accession Number
ADA473820

Entities

People

  • Kiet A Nguyen
  • Paul N Day
  • Ramamurthi Kannan
  • Ruth Pachter

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies
  • Sensors

DTIC Thesaurus Topics

  • Absorption
  • Absorption Spectra
  • Air Force
  • Air Force Facilities
  • Air Force Research Laboratories
  • Chemistry
  • Chromophores
  • Computational Chemistry
  • Computational Science
  • Density Functional Theory
  • Energy Bands
  • Excitation
  • Government Procurement
  • Governments
  • Laser Dyes
  • Spectra
  • United States

Fields of Study

  • Physics

Readers

  • Chemistry (specifically Chemical Fluorescence)
  • Molecular Photonics/Laser Physics
  • Spectroscopy.