摘要
Non-adiabatic multiconfigurational molecular dynamics simulations have revealed a molecular "Newton's Cradle'' that activates on absorption of light in the mid-UV and assists the S-1/S-0 internal conversion process in 1,2-dithiane, protecting the disulfide bond from photodamage. This communication challenges contemporary understanding of the S-1/S-0 internal conversion process in 1,2-dithiane and presents a classically-intuitive reinterpretation of experimental evidence.
- 出版日期2016-10-21