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.

Analysis of the Electronic Circular Dichroism Spectrum of (-)–[9](2,5)Pyridinophane

DI BARI, LORENZO;
2012-01-01

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.
Padula, D; DI BARI, Lorenzo; Santoro, F; Gerlach, H; Rizzo, A.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/155342
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