Simulation of Phthalocyanine Dimer Spectra by Extended Dipole Model
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概要
- 論文の詳細を見る
Optical absorption spectra of phthalocyanine (Pc) dimers are simulated for a series of assembling structures in which two Pc molecules are parallel to each other. Intermolecular interaction that induces change of spectra is calculated by extended dipole model and extended double-dipole model. The splitting feature of the dimer spectra shows several spectral patterns, depending on a structural parameter, namely, the slipping distance. Among the patterns we find spectral characteristics of major crystals such as a-form and β-form by choosing the appropriate parameter values. By using dipole lengths of realistic molecular dimension, simulated interaction energy approaches the experimental scale for a coaxial face-to-face structure.
- 社団法人応用物理学会の論文
- 1998-02-15
著者
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TANI Toshiro
Electrotechnical Laboratory, Tsukuba
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Tani Toshiro
Electrochnical Laboratory
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SAITO Kazuhiro
Electrotechnical Laboratory
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SAKAKIBARA Youichi
Electrotechnical Laboratory
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