Electronic structure and photophysical properties of polyimides

Conference · Wed Apr 01 00:00:00 EST 1992

OSTI ID:5574701

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; USDOE, Washington, DC (United States)
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 5574701
• Report Number(s): PNL-SA-20358; CONF-920444-27; ON: DE92012353
• Resource Relation: Conference: American Chemical Society national meeting, San Francisco, CA (United States), 5-10 Apr 1992
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
IMIDES
ELECTRONIC STRUCTURE
POLYMERS
PHOTOCONDUCTIVITY
ABSORPTION SPECTRA
COMPUTER CODES
CONFORMATIONAL CHANGES
MOLECULAR ORBITAL METHOD
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHYSICAL PROPERTIES
SPECTRA
360606* - Other Materials- Physical Properties- (1992-)
400500 - Photochemistry