Centre for Computational Physics, Department of Physics, University of Coimbra, Rua Larga, 3004-516, Coimbra, Portugal.
Phys Chem Chem Phys. 2013 Sep 21;15(35):14814-22. doi: 10.1039/c3cp52528g.
Theoretical analysis using quadratic response theory within the time-dependent density functional theory (TDDFT) formalism shows that the dermacozines, a group of phenazine-based compounds isolated from cultures of Dermacoccus abyssi found in the Mariana Trench, possess large first hyperpolarisability (β) values at common incident laser wavelengths that are highly sensitive to the degree and type of substitution of the core structure. The phenazine moiety is a versatile and tunable chromophore for non-linear optics and this work serves to highlight the potential that (marine) natural products, even those found in the darkest places on the planet, may have for aiding developments in optical materials design.
理论分析表明，二甲酰亚胺是从马里亚纳海沟的 Dermacoccus abyssi 培养物中分离出的一组基于吩嗪的化合物，在时间相关密度泛函理论（TDDFT）形式下使用二次响应理论，具有在常见入射激光波长下具有较大的第一超极化率（β）值，并且对核心结构的取代程度和类型高度敏感。吩嗪部分是用于非线性光学的多功能和可调谐生色团，这项工作表明（海洋）天然产物，即使是在地球上最黑暗的地方发现的产物，也可能有助于光学材料设计的发展。
