Optical Characterization and Computational Chemical Evaluation of Electronic Localized States in Polyolefin

• Arai Tomoyuki

  Faculity of Science and Engineering, Waseda University

• Hosobuchi Masashi

  Faculity of Science and Engineering, Waseda University

• Fuse Norikazu

  Central Research Institute of Electric Power Industry

• Takeda Kyozaburo

  Faculity of Science and Engineering, Waseda University

• Ohki Yoshimichi

  Faculity of Science and Engineering, Waseda University

Bibliographic Information

Other Title

• ポリオレフィンの電子局在準位の光学的評価と計算化学的検証
• ポリオレフィン ノ デンシキョクザイジュンイ ノ コウガクテキ ヒョウカ ト ケイサン カガクテキ ケンショウ

Abstract

Optical absorption spectra and photoluminescence spectra were obtained for eight kinds of polyolefin sheet samples using photons in a range from visible to vacuum ultraviolet. Almost all samples were found to exhibit an absorption peak at around 6.5 eV and a luminescence band at around 4.3 eV. The luminescence was found to be induced by the absorption. Furthermore, it was found that successive absorption of ultraviolet photons weakened the luminescence intensity. It is assumed from these results that α, β-unsaturated carbonyls are luminous and that the carbonyls are decomposed through the Norrish type II reaction by absorbing ultraviolet photons. Quantum chemical calculations were carried out using polyethylene models with and without an unsaturated carbonyl to verify the above-mentioned assumption. As a result, the model with an unsaturated carbonyl was found to have localized electronic states in the forbidden band. One of the differential energies between the states is close to the photon energy, by which the luminescence is induced. The bond length of a double bond, which is next to the carbonyl, was found to be longer at the excited singlet state than at the ground state. These results obtained by computation support the above-mentioned assumption of the luminescence center and its decomposition.

Journal

• IEEJ Transactions on Fundamentals and Materials

  IEEJ Transactions on Fundamentals and Materials 132 (9), 760-766, 2012

  The Institute of Electrical Engineers of Japan

Keywords

• polyolefin
• optical absorption
• photoluminescence
• quantum chemical calculation
• computational chemistry

Details

• CRID: 1390001204598665728
• NII Article ID: 10031019067
• NII Book ID: AN10136312
• DOI: 10.1541/ieejfms.132.760
• ISSN: 13475533
• ISSN: 03854205
• NDL BIB ID: 023974500
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I023974500
• Web Site: https://www.jstage.jst.go.jp/article/ieejfms/132/9/132_760/_pdf
• Text Lang: ja
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed