Intramolecular charge-transfer absorption spectra of tetracyanotetrathiafulvalene.
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概要
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The electronic spectrum and structure of tetracyanotetrathiafulvalene have been investigated by the ASMO-SCF-CI method, in which the 3d orbitals of sulfur atoms are taken into account. The calculated results showed that the absorption band at the longest wavelength can be interpreted in terms of intramolecular charge-transfer.
- 公益社団法人 日本化学会の論文
著者
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Kawase Tokuzo
Department Of Chemistry And Materials Technology Kyoto Institute Of Technology
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Yoshida Zen-ichi
Department Of Applied Chemistry Faculty Of Science And Engineering Kinki University
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Yoneda Shigeo
Department of Synthetic Chemistry, Kyoto University
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