Charge-transfer bands of the mixed molecular complex, (anthracene)1-x(phenanthrene)x(1,2,4,5-tetracyanobenzene).

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概要

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• A series of crystalline mixed molecular complexes of composition, (anthracene)<SUB>1−<I>x</I></SUB>(phenanthrene)<I><SUB>x</SUB></I>(TCNB), with 0.17≤<I>x</I>≤0.63, has been prepared from solutions containing mixtures of the three components. A linear relationship is observed between solution and solid composition, and the melting point data and powder X-ray diffraction patterns suggest the formation of a continuous series of mixed molecular complexes of closely related crystal structure. Polarized crystal spectra of these crystals show two charge-transfer bands characteristic of the interaction between anthracene and TCNB and that between phenanthrene and TCNB, respectively. Their intensity ratio is linearly dependent on composition, and constant for different crystals of the same composition. Discussion is given on these results by using the results of semi-empirical SCF-MO-CI calculations on the three-molecule model, anthracene/TCNB/phenanthrene.

• 公益社団法人 日本化学会の論文

著者

• Ohta Toshiaki

  Department Of Chemistry Faculty Of Science University Of Tokyo

• Kuroda Haruo

  Department of Chemistry and Research Center for Spectrochemistry, Faculty of Science, The University of Tokyo

• Wright John

  Department of Chemistry, Faculty of Science, University of Tokyo

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