视黄醛发色团作为眼球中光信号的接收者，在人类视觉形成中起着关键作用。大量研究尝试确定视黄醛在视觉形成过程中的作用机制，但其中的光致异构化、非绝热弛豫、中间态等重要激发态动力学信息仍有诸多争议，各种因素对动力学过程的影响也有待进一步研究。本项目拟采用多体格林函数方法，对视黄醛分子进行光致异构化反应的激发态势能面、电荷分布、偶极矩、产物的立体选择性等性质开展研究。通过改变视黄醛的电性、碳骨架共轭长度、蛋白质环境等，探究各因素对视黄醛激发态性质及反应机理的影响。申请人之前对细菌类胡萝卜素激发态能量传递性能的研究，为本项目的视黄醛研究打下了良好的基础。本项目所获得的视黄醛激发态动力学信息将有助于加深人们对视觉形成机理的理解，也可以为设计基于视黄醛的光活性分子器件、拓展视黄醛的应用领域提供理论信息。

The retinal chromophore acts as a receiver of the optical signal in the eyeball and plays a key role in the formation of human vision. A large number of studies have been performed, aiming to determine to determine the mechanism of action of retinal in the process of visual formation. However, there are still a lot of controversies on some fundamental excited-state dynamics information, such as the photoisomerization, nonadiabatic relaxation and possible intermediate states along the isomerization process. The effects of various factors on the dynamics process are also required to be explored. In this project, we intend to study excited-state potential energy surfaces, charge distributions, dipole moments and stereoselectivity of products of retinal molecules along the photoisomerization process employing the many-body Green’s function theory. The effects of various factors on the excited state of retinal and its participating reaction mechanism will be obtained by changing the electrical properties of retinal, the conjugate length of carbon skeleton, and the protein environment. The applicant has previously conducted an in-depth study on the energy transfer performance of excited state for carotenoids in the photosynthetic system, which lays a good foundation for the studies on retinal in this project. The retinal excited state kinetics information obtained in this project will help to deepen people's understanding of the mechanism of visual formation. It will also provide theoretical information for designing retinal-based photoactive molecular devices and expanding the application field of retinal.