Unveiling All‐Optical Switching Phenomenon in Anthracene Derivatives: A Comprehensive Study on Optical and Nonlinear Optical Multifunctionality

In this study, it is considered three anthracene derivatives, characterized meticulously in terms of their chemical structure and product purity. Extensive quantum chemical calculations are conducted to elucidate their optical and nonlinear optical properties, shedding light on the mechanism of photoinduced conformational transformation, a pivotal discovery in this research. Experimental analyses encompassed fundamental optical properties and advanced nonlinear optical phenomena, including z ‐scan experiments, second harmonic generation (SHG), and third harmonic generation (THG). Remarkably, a groundbreaking all‐optical switching phenomenon in these materials is experimentally validated, marking a significant advancement and contributing to their potential applications.