The results of a combined experimental and theoretical study of the electronic circular dichroism spectrum of (-)[9] (2,5)Pyridinophane are presented. The features observed in the measured spectrum in the 180350?nm wavelength region are reproduced by a series of calculations carried out within a density functional time-dependent approach, coupled with a vibronic analysis allowing rationalizing unambiguously the chiral response of the molecule. Chirality 24:9941004, 2012. (c) 2012 Wiley Periodicals, Inc.
Analysis of the Electronic Circular Dichroism Spectrum of (-)-[9](2,5)Pyridinophane
Santoro;Fabrizio;Rizzo;Antonio
2012
Abstract
The results of a combined experimental and theoretical study of the electronic circular dichroism spectrum of (-)[9] (2,5)Pyridinophane are presented. The features observed in the measured spectrum in the 180350?nm wavelength region are reproduced by a series of calculations carried out within a density functional time-dependent approach, coupled with a vibronic analysis allowing rationalizing unambiguously the chiral response of the molecule. Chirality 24:9941004, 2012. (c) 2012 Wiley Periodicals, Inc.File in questo prodotto:
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