Complexes in the Naphthoquinone Series: Crystal Structures,Electronic Structures,Stability |
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| Authors: | G Bertholon R Perrin R Lamartine A Thozet M Perrin J Caillet |
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| Institution: | 1. Groupe de Recherches sur les Phénols associated with CNRS of France (ERA 600);2. Laboratoire de Minéralogie-Cristallographie associated with CNRS of France (ERA 600) Université Claude Bernard Lyon , 1, 43. Bd du 11 novernbre 1918, 69621, Villeurbanne, France;3. Groupe de Recherches sur les Phénols associated with CNRS of France (ERA 600);4. Laboratoire de Biochimie Théorique, associated with CNRS of France (LA 77) , 13, rue Pierre et Marie Curie, 75005, Paris, France |
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| Abstract: | It is shown that the charge transfer is negligible in the ground state for organic charge transfer complexes between phenols and quinones. Our objective Is to determine the origin of the stability of the complexes. The geometric, electronic and energetic properties of these complexes were examined by three techniques, crystal structure determination by X-ray diffraction, spectrum and charge transfer calculation by quantum chemical methods, and lattice energy computation. |
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| Keywords: | Fluorocarbon mesophase mosaic texture semifluorinated alkane smectic tilt |
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