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Dr. Simone Di Motta, Dr. Tommaso Avellini, Dr. Serena Silvi, Prof. Margherita Venturi, Dr. Xiang Ma, Prof. He Tian, Prof. Alberto Credi and Prof. Fabrizia Negri Photophysical Properties and Conformational Effects on the Circular Dichroism of an Azobenzene–Cyclodextrin [1]Rotaxane and Its Molecular Components Chemistry - A European Journal 19

Article first published online: 16 JAN 2013 | DOI: 10.1002/chem.201203676

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The perfect host: Spectroscopic and computational techniques were used to investigate the absorption, luminescence and induced circular dichroism (ICD) spectra of a multicomponent [1]rotaxane. DFT calculations revealed the availability of low-energy conformations that contribute to the observed signal (see figure). The results were compared with those predicted on the basis of established ICD rules for cyclodextrin host–guest complexes.

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