Azole-Based Diarylethenes Containing Benzoheteroarene π-Linkers for Solar Thermal Energy Storage: Influence of Aromaticity and Noncovalent Interactions.

• Tác giả: Baswanth Oruganti, Mahesh Kumar Ravva, Thillaiarasi Sukumar
• Ngôn ngữ: eng
• Ký hiệu phân loại: 363.232 Patrol and surveillance
• Thông tin xuất bản: United States : The Journal of organic chemistry , 2025
• Bộ sưu tập: NCBI
• ID: 219737

Tóm tắt

Diarylethene photoswitches featuring azole-based diaryl units combined with benzoheteroarene π-linkers have gained significant research interest in recent years due to their potential to achieve higher photocyclization efficiencies compared to conventional dithienylethene switches. In this work, we investigate the suitability of these photoswitches for molecular solar thermal energy storage (MOST) applications through computational modeling of their electrocyclization and cycloreversion reactions. Our calculations demonstrate that it is possible to achieve simultaneously both large energy-storage densities (0.29-0.35 MJ kg