Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches.

ABSTRACT: Molecular switches, in which a stimulus induces a large and reversible change in molecular properties, are of significant interest in the domain of photonics. Due to their commutable redox states with distinct nonlinear optical (NLO) properties, hexaphyrins have emerged as a novel platform for multistate switches in nanoelectronics. In this study, we employ an inverse design algorithm to find functionalized 26R→28R redox switches with maximal βHRS contrast. We focus on the role of core modifications, since a synergistic effect with meso-substitutions was recently found for the 30R-based switch. In contrast to these findings, the inverse design optima and subsequent database analysis of 26R-based switches confirm that core modifications are generally not f

SUBMITTER: Desmedt E 

PROVIDER: S-EPMC10647741 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature