Chiroptical symmetry analysis of Trianglimines: a case study
UNIVERSAL IDENTIFIER: http://hdl.handle.net/11093/2127
EDITED VERSION: https://www.mdpi.com/2073-8994/11/10/1245
UNESCO SUBJECT: 2306 Química Orgánica ; 2306.04 Química de Los Compuestos Bicíclicos ; 2306.16 Esteroquímica y Análisis Conformacional
DOCUMENT TYPE: article
It is well established that chiroptical responses, based on the unique reaction to circularly polarized light by chiral non-racemic systems, are sensitive to the stereochemistry of the featuring systems. This behavior has promoted the use of chiroptical spectroscopies as a mandatory tool in the structure determination of molecules for decades. Recently, the higher sensitivity of chiroptical techniques compared to the conventional UV/Vis absorption and fluorescence spectroscopies or electrochemistry has awakened much interest in the development of chiroptical everyday applications. While chiroptical responses could be predicted by ab initio calculations, large systems calculated at a high level of theory may have an important computational cost; therefore, more intuitive methods are desired to design systems with tailored chiroptical responses. In this regard, the exciton chirality method has been often used in conformationally stable systems incorporating at least two independent chromophores. Taking this method into consideration, in our previous work, we described the chiroptical symmetry analysis (CSA) based on symmetry selection rules. To explore the scope of the CSA, herein we perform the chiroptical symmetry analysis of diverse trianglimines and draw general conclusions to assist on the design of chiroptical systems with high symmetry.
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