A Mechanistic Approach to Larger Molecular Third Order Optical Polarizabilities

Abstract

AMPAC (Semichem Inc.) AM1 semiempirical calculations on stacked benzenes delocalized ring systems suggest that very large third order polarizabilities (Y) can be obtained. Systems of +2 charge consisting of benzene rings separated by 3A, display finite field zero frequency Y(O;O;O;O)s that are many orders of magnitude larger than any thus far encountered or previously predicted for organics. The ratio of Y to A is an increasing function with system size, suggesting that the nonlinear optical process susceptibility may be able to be increased sufficiently to overcome linear optical losses. Up to 14 rings, the largest systems currently calculated, there is not yet a clear indication of leveling-off or saturation of Y or Y/A. The feasibility of such material systems is discussed, as well as limitations to the calculations that need to be further investigated.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1997
Accession Number
ADA338860

Entities

People

  • Carl W. Dirk

Organizations

  • University of Texas at El Paso

Tags

Communities of Interest

  • Advanced Electronics
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Assembly
  • Celestial Brightness
  • Chemistry
  • Classification
  • Domain Walls
  • Figure Of Merit
  • Frequency
  • Heat Of Formation
  • Ionization Potentials
  • Materials
  • Molecules
  • Optical Materials
  • Physical Chemistry
  • Saturation
  • Self Assembly
  • Two Dimensional
  • Two Photon Absorption

Fields of Study

  • Physics

Readers

  • Aviation Science / Aeronautics.
  • Quantum Chemistry