Theoretical study of quinolines–I2 inter
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Hitoshi Kusama; Hideki Sugihara
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Article
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2005
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John Wiley and Sons
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English
⚖ 239 KB
## Abstract The monomer and intermolecular charge‐transfer complexes of 13 different quinoline derivatives with diiodine were studied using __ab initio__ molecular orbital (MO) and density functional theory (DFT) methods. Calculations revealed that the σ\* orbital of iodine interacts with the nitro