X-ray photoelectron and optical absorption spectroscopic studies on the dye chlorodiane blue, used as a carrier generation molecule in organic photoconductors

Journal Article · Wed Jul 01 04:00:00 EDT 1992 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/ja00040a050· OSTI ID:229934

Pacansky, J; Waltman, R J ^[1]

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1. IBM Almaden Research Center, San Jose, CA (United States)

The dye chlorodiane blue, used as a carrier generation molecule in organic photoconductors, is characterized via optical absorption and X-ray photoelectron spectroscopy, and the results are interpreted on the basis of ab initio quantum mechanical molecular models. These data indicate that chlorodiane blue exists as azo-enol and hydrazone-quinone chemical structures and it is the hydrazone-quinone form that provides the higher xerographic gain in electrophotographic applications. Optimized geometries, atomic charges, and molecular orbital plots and energies are reported for both the azo-enol and hydrazone-quinone forms of chlorodiane blue. The two structural forms of the dye are experimentally distinguishable via both optical absorption and X-ray photoelectron spectroscopy, and the wavelength and chemical shifts, respectively, are interpreted via the theoretical results. 29 refs., 9 figs., 4 tabs.

• Sponsoring Organization: USDOE
• OSTI ID: 229934
• Journal Information: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 14 Vol. 114; ISSN JACSAT; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
CHARGE CARRIERS
ELECTROSTATICS
PHOTOCONDUCTORS
PHOTOELECTRON SPECTROSCOPY
XEROGRAPHY