Electronic structure of poly(ether-ether-ketone), PEEK

R. Lazzaroni; N. Sato; W. R. Salaneck; M. C. Dos Santos; J. L. Brédas; B. Tooze; D. T. Clark

doi:10.1016/0009-2614(90)85538-N

Electronic structure of poly(ether-ether-ketone), PEEK

R. Lazzaroni^*, N. Sato, W. R. Salaneck, M. C. Dos Santos, J. L. Brédas, B. Tooze, D. T. Clark

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

21 Scopus citations

Abstract

The electronic structure of poly(ether-ether-ketone) (PEEK) is investigated by combining X-ray and ultraviolet photoelectron spectroscopy data with the results of theoretical calculations. XPS core level spectra are related to the charge distribution on the chain, and shake-up satellites are analyzed in terms of electron interaction between the phenyl rings. The UPS spectra are interpreted from the theoretical densities of valence states calculated by the valence effective Hamiltonian (VEH) method. The results show that the electronic structure of PEEK is basically identical to that of a short-chain model molecule, indicating that the ground state of the polymer remains localized, with no long-range electronic interaction along the chain.

Original language	English (US)
Pages (from-to)	175-181
Number of pages	7
Journal	Chemical Physics Letters
Volume	175
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(90)85538-N
State	Published - Dec 4 1990
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(90)85538-N

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@article{c939edafacf64a3a90f7ab872fd5d16c,

title = "Electronic structure of poly(ether-ether-ketone), PEEK",

abstract = "The electronic structure of poly(ether-ether-ketone) (PEEK) is investigated by combining X-ray and ultraviolet photoelectron spectroscopy data with the results of theoretical calculations. XPS core level spectra are related to the charge distribution on the chain, and shake-up satellites are analyzed in terms of electron interaction between the phenyl rings. The UPS spectra are interpreted from the theoretical densities of valence states calculated by the valence effective Hamiltonian (VEH) method. The results show that the electronic structure of PEEK is basically identical to that of a short-chain model molecule, indicating that the ground state of the polymer remains localized, with no long-range electronic interaction along the chain.",

author = "R. Lazzaroni and N. Sato and Salaneck, {W. R.} and {Dos Santos}, {M. C.} and Br{\'e}das, {J. L.} and B. Tooze and Clark, {D. T.}",

note = "Funding Information: We are grateful to the Swedish Board for Technical Development for supporting research on polymers in Linkiiping. We wish to thank the University of Mons for the use of the UMH-CC1 Computer Center as well as the Belgian National Fund for Scientific Research (F{\textquoteright}NRS) and IBM-Belgium for the use of the supercomputer network at KU Lcuven, U. Liege, and FUNDP Namur. One of us (NS) is grateful to the Ministry of Education, Science and Culture of Japan, which made possible an extended visit to Lin-kijping through the Japan-Sweden International Scientific Research Program (63044 147).",

year = "1990",

month = dec,

day = "4",

doi = "10.1016/0009-2614(90)85538-N",

language = "English (US)",

volume = "175",

pages = "175--181",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "3",

}

TY - JOUR

T1 - Electronic structure of poly(ether-ether-ketone), PEEK

AU - Lazzaroni, R.

AU - Sato, N.

AU - Salaneck, W. R.

AU - Dos Santos, M. C.

AU - Brédas, J. L.

AU - Tooze, B.

AU - Clark, D. T.

N1 - Funding Information: We are grateful to the Swedish Board for Technical Development for supporting research on polymers in Linkiiping. We wish to thank the University of Mons for the use of the UMH-CC1 Computer Center as well as the Belgian National Fund for Scientific Research (F’NRS) and IBM-Belgium for the use of the supercomputer network at KU Lcuven, U. Liege, and FUNDP Namur. One of us (NS) is grateful to the Ministry of Education, Science and Culture of Japan, which made possible an extended visit to Lin-kijping through the Japan-Sweden International Scientific Research Program (63044 147).

PY - 1990/12/4

Y1 - 1990/12/4

N2 - The electronic structure of poly(ether-ether-ketone) (PEEK) is investigated by combining X-ray and ultraviolet photoelectron spectroscopy data with the results of theoretical calculations. XPS core level spectra are related to the charge distribution on the chain, and shake-up satellites are analyzed in terms of electron interaction between the phenyl rings. The UPS spectra are interpreted from the theoretical densities of valence states calculated by the valence effective Hamiltonian (VEH) method. The results show that the electronic structure of PEEK is basically identical to that of a short-chain model molecule, indicating that the ground state of the polymer remains localized, with no long-range electronic interaction along the chain.

AB - The electronic structure of poly(ether-ether-ketone) (PEEK) is investigated by combining X-ray and ultraviolet photoelectron spectroscopy data with the results of theoretical calculations. XPS core level spectra are related to the charge distribution on the chain, and shake-up satellites are analyzed in terms of electron interaction between the phenyl rings. The UPS spectra are interpreted from the theoretical densities of valence states calculated by the valence effective Hamiltonian (VEH) method. The results show that the electronic structure of PEEK is basically identical to that of a short-chain model molecule, indicating that the ground state of the polymer remains localized, with no long-range electronic interaction along the chain.

UR - http://www.scopus.com/inward/record.url?scp=0348049559&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(90)85538-N

DO - 10.1016/0009-2614(90)85538-N

M3 - Article

AN - SCOPUS:0348049559

SN - 0009-2614

VL - 175

SP - 175

EP - 181

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3

ER -

Electronic structure of poly(ether-ether-ketone), PEEK

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