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Chiroptical Symmetry Analysis of Trianglimines: A Case Study

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Departamento de Química Orgánica, Universidade de Vigo, Lagoas-Marcosende s/n, 36310 Vigo, Spain
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Departamento de Química Física, Universidade de Vigo, Lagoas-Marcosende s/n, 36310 Vigo, Spain
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Authors to whom correspondence should be addressed.
Symmetry 2019, 11(10), 1245; https://doi.org/10.3390/sym11101245
Received: 3 August 2019 / Revised: 20 September 2019 / Accepted: 21 September 2019 / Published: 4 October 2019
(This article belongs to the Special Issue Molecular Chirality)
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. View Full-Text
Keywords: chiroptical responses; high symmetry; exciton coupling; theoretical prediction chiroptical responses; high symmetry; exciton coupling; theoretical prediction
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Ozcelik, A.; Pereira-Cameselle, R.; Mosquera, R.A.; Peña-Gallego, Á.; Alonso-Gómez, J.L. Chiroptical Symmetry Analysis of Trianglimines: A Case Study. Symmetry 2019, 11, 1245.

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