Electronic interactions in triple exciplex of the 1,4-dicyanobenzene and naphthalene system.
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概要
- 論文の詳細を見る
Semiempirical SCF-MO-CI caluculation was carried out for the 1,4-dicyanobenzene (DCB) and naphthalene system which is known to form exciplex (DA)<SUP>*</SUP> and triple exciplex (D<SUB>2</SUB>A)<SUP>*</SUP>. Potential energy curves of the electronic interactions between excimer and electron acceptor molecule, and between exciplex and electron donor molecule were constructed. The results show that the array of component molecules in the triple exciplex is DDA, and the stabilization energy of triple exciplex is ≈0.4 eV from the excimer and ≈0.2 eV from the exciplex. They are in line with results reported on the experiment of exciplex and triple exciplex formation.
- 公益社団法人 日本化学会の論文
著者
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Mimura Tsutomu
Faculty Of Pharmaceutical Sciences Osaka University
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Ohta Toshiaki
Department Of Chemistry Faculty Of Science University Of Tokyo
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Okamoto Toshihiko
Faculty Of Pharmaceutical Science University Of Tokyo
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Itoh Michiya
Faculty of Pharmaceutical Sciences, Kanazawa University
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