Electronic structure and photophysical properties of polyimides

Conference · Tue Mar 31 23:00:00 EST 1992

OSTI ID:10141689

LaFemina, J P ^[1]; Kafafi, S A ^[2]

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1. Pacific Northwest Lab., Richland, WA (United States)
2. Johns Hopkins Univ., Baltimore, MD (United States). Div. of Environmental Chemistry

The quantum mechanical AM1 and CNDO/S3 models were used to examine the effect of isoelectronic substitutions on the conformation, electronic structure, and optical absorption spectra for a series of aromatic polyimides. An analysis of the geometric changes at the substitution site and its effect on the electronic structure allowed for the prediction of changes in the ICT band of the optical absorption spectra.

• Research Organization: Pacific Northwest Lab., Richland, WA (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 10141689
• Report Number(s): PNL-SA--20358; CONF-920444--27; ON: DE92012353
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360606
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400500
ABSORPTION SPECTRA
COMPUTER CODES
CONFORMATIONAL CHANGES
ELECTRONIC STRUCTURE
IMIDES
MOLECULAR ORBITAL METHOD
PHOTOCHEMISTRY
PHOTOCONDUCTIVITY
PHYSICAL PROPERTIES
POLYMERS