Photoprotection Mechanism of p‑Methoxy Methylcinnamate: A CASPT2 Study

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 119; no. 47; pp. 11488 - 11497
• Main Authors: Chang, Xue-Ping, Li, Chun-Xiang, Xie, Bin-Bin, Cui, Ganglong
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 25.11.2015

p-Methoxy methylcinnamate (p-MMC) shares the same molecular skeleton with octyl methoxycinnamate sunscreen. It is recently found that adding one water to p-MMC can significantly enhance the photoprotection efficiency. However, the physical origin is elusive. Herein we have employed multireference co...