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AB Initio SCF Calculations of the Carbazole and 2,4,7 Trinitro-9-Fluorenone (TNF) Molecules

  • I. P. Batra
  • H. Seki
Part of the The IBM Research Symposia Series book series (IRSS)

Abstract

Our interest in these calculations is based on our desire to understand the properties of a photosensitive polymer. The organic polymer film consisting of a 1:1 monomer molar ratio mixture of poly-n-vinylcarbazole (PVCZ) and 2,4,7-trinitrofluorenone (TNF) is a sensitive organic photoconductor currently being used in the IBM electrophotographic copier. In this laboratory we are presently investigating the electrical and optical properties of this and related materials. The carbazole monomer unit and the TNF molecule (see Figs. 1 and 2) are known to form charge transfer complexes about which relatively little is known. But these molecules are mainly responsible for the photosensitivity in the visible region. Our experimental results indicate that optical absorption, photo-generation efficiency of free carriers, and the very small charge carrier mobilities are all strongly field dependent. These results support the description of these materials as disordered molecular solids and we expect that the properties of the basic molecular constituents can be expected to have a relatively direct correlation to the properties of the solid as a whole.

Keywords

Charge Density Distribution Molecular Solid Charge Transport Process Form Charge Transfer Complex Photosensitive Polymer 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Reference

  1. (1).
    K. H. Johnson, J. G. Norman, Jr., and J. W. D. Connolly, this volume, p. 161.Google Scholar

Copyright information

© Plenum Press, New York 1973

Authors and Affiliations

  • I. P. Batra
    • 1
  • H. Seki
    • 1
  1. 1.IBM Research LaboratorySan JoseUSA

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