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

作者：Padula Daniele; Di Bari Lorenzo; Santoro Fabrizio; Gerlach Hans; Rizzo Antonio^*

来源：Chirality, 2012, 24(12): 994-1004.

DOI：10.1002/chir.22087

• electronic circular dichroism
• pyridinophane
• density functional theory
• vibronic effects
• chirality

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.

• 出版日期2012-12