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High Resolution X-Ray Photoelectron Spectroscopy and INDO/S-CI Study of the Core Electron Shakeup States of PMDA-ODA Polyimide

Nakayama, Y.; Persson, Petter LU ; Lunell, S.; Kowalczyk, S. P.; Wannberg, B. and Gelius, U. (1999) In Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films 17(5). p.2791-2799
Abstract
Pyromellitic dianhydride-4,4-oxydianiline (PMDA–ODA) polyimide films have been studied using high resolution x-ray photoelectron spectroscopy and model semi-empirical INDO/S–CI calculations. Experimental and theoretical C 1s, N 1s, and O 1s spectra are presented, and found to be in good agreement with each other. Shakeup features of the spectra are identified, and their electronic nature analyzed theoretically. The highly nonstoichiometric ratio between the carbonyl and the ether O 1s main peaks is quantitatively explained by the calculations, where the nonstoichiometry is shown to be the result of stronger carbonyl than ether shakeup. Conformational effects on the shakeup spectra, due to torsion between the PMDA and ODA units, were... (More)
Pyromellitic dianhydride-4,4-oxydianiline (PMDA–ODA) polyimide films have been studied using high resolution x-ray photoelectron spectroscopy and model semi-empirical INDO/S–CI calculations. Experimental and theoretical C 1s, N 1s, and O 1s spectra are presented, and found to be in good agreement with each other. Shakeup features of the spectra are identified, and their electronic nature analyzed theoretically. The highly nonstoichiometric ratio between the carbonyl and the ether O 1s main peaks is quantitatively explained by the calculations, where the nonstoichiometry is shown to be the result of stronger carbonyl than ether shakeup. Conformational effects on the shakeup spectra, due to torsion between the PMDA and ODA units, were investigated theoretically and found to be small for PMDA–ODA. (Less)
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author
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films
volume
17
issue
5
pages
2791 - 2799
publisher
American Vacuum Society
external identifiers
  • scopus:0033470606
ISSN
1520-8559
DOI
10.1116/1.581946
language
English
LU publication?
no
id
bc5e250a-f112-40a5-9f85-45621fc23f36 (old id 1457925)
date added to LUP
2009-08-27 15:52:54
date last changed
2017-07-30 03:53:53
@article{bc5e250a-f112-40a5-9f85-45621fc23f36,
  abstract     = {Pyromellitic dianhydride-4,4-oxydianiline (PMDA–ODA) polyimide films have been studied using high resolution x-ray photoelectron spectroscopy and model semi-empirical INDO/S–CI calculations. Experimental and theoretical C 1s, N 1s, and O 1s spectra are presented, and found to be in good agreement with each other. Shakeup features of the spectra are identified, and their electronic nature analyzed theoretically. The highly nonstoichiometric ratio between the carbonyl and the ether O 1s main peaks is quantitatively explained by the calculations, where the nonstoichiometry is shown to be the result of stronger carbonyl than ether shakeup. Conformational effects on the shakeup spectra, due to torsion between the PMDA and ODA units, were investigated theoretically and found to be small for PMDA–ODA.},
  author       = {Nakayama, Y. and Persson, Petter and Lunell, S. and Kowalczyk, S. P. and Wannberg, B. and Gelius, U.},
  issn         = {1520-8559},
  language     = {eng},
  number       = {5},
  pages        = {2791--2799},
  publisher    = {American Vacuum Society},
  series       = {Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films},
  title        = {High Resolution X-Ray Photoelectron Spectroscopy and INDO/S-CI Study of the Core Electron Shakeup States of PMDA-ODA Polyimide},
  url          = {http://dx.doi.org/10.1116/1.581946},
  volume       = {17},
  year         = {1999},
}