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

カテゴリ: 論文誌(論文単位)

グループ名: 【A】基礎・材料・共通部門

発行日: 2012/09/01

タイトル(英語): Optical Characterization and Computational Chemical Evaluation of Electronic Localized States in Polyolefin

著者名: 荒井　友之（早稲田大学 理工学術院），細淵　柾志（早稲田大学 理工学術院），布施　則一（電力中央研究所 電力技術研究所），武田　京三郎（早稲田大学 理工学術院），大木　義路（早稲田大学 理工学術院）

著者名(英語): Tomoyuki Arai (Faculity of Science and Engineering, Waseda University), Masashi Hosobuchi (Faculity of Science and Engineering, Waseda University), Norikazu Fuse (Central Research Institute of Electric Power Industry), Kyozaburo Takeda (Faculity of Science and Engineering, Waseda University), Yoshimichi Ohki (Faculity of Science and Engineering, Waseda University)

キーワード: ポリオレフィン，光吸収，フォトルミネセンス，量子化学計算，計算化学　　polyolefin，optical absorption，photoluminescence，quantum chemical calculation，computational chemistry

要約(英語): 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.

本誌: 電気学会論文誌A（基礎・材料・共通部門誌） Vol.132 No.9 （2012） 特集：テラヘルツ波

本誌掲載ページ: 760-766 p

原稿種別: 論文／日本語

電子版へのリンク: https://www.jstage.jst.go.jp/article/ieejfms/132/9/132_760/_article/-char/ja/