ARTICLE | doi:10.20944/preprints201806.0256.v2
Subject: Chemistry, Analytical Chemistry Keywords: Chirality; Chiroptical Responses; Exciton Chirality; Selection Rules; Symmetry.
Online: 8 October 2018 (15:37:56 CEST)
The high sensitivity of chiroptical responses to conformational changes and supramolecular interactions has prompted an increasing interest in the development of chiroptical applications. However, prediction and understanding the chiroptical responses of the necessary large systems may not be affordable for calculations at high levels of theory. In order to facilitate the development of chiroptical applications, methodologies capable of evaluating the chiroptical responses of large systems are necessary. Exciton chirality method has been extensively used for the interaction between two independent chromophores through the Davydov model. For systems presenting C2 or D2 symmetry one can get to the same results by applying the selection rules. In the present article, analysis of the selection rules for systems with symmetries Cn and Dn with n = 3 and 4 is used to uncover the origin of their chiroptical responses. We hope that the use of the chiroptical symmetry analysis (CSA) for systems presenting the symmetries explored herein as well as for systems presenting higher symmetries will serve as a useful tool for the development of chiroptical applications.
Subject: Chemistry, Other Keywords: chiroptical systems; theoretical simulations, chiral design; sensing applications
Online: 30 January 2020 (12:28:25 CET)
Chiroptical responses have been an essential tool over the last decades for chemical structural elucidation due to their exceptional sensitivity to geometry and intermolecular interactions. In recent times, there has been an increasing interest for the search of more efficient sensing by the rational design of tailored chiroptical systems. In this Review article, advances on chiroptical systems towards their implementation in sensing applications are summarized. Strategies to generate chiroptical responses are illustrated. Theoretical approaches to assist in the design of these systems are discussed. Development of efficient chiroptical reporters in different states of matter, essential for the implementation in sensing devises, is reviewed. In the last part, remarkable examples of chiroptical sensing applications are highlighted.